For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
alpha,alpha,alpha,2,2,2-HEXAFLUORO-p-ACETOTOLUIDIDE
SpectraBase Compound ID G0tznlZfWoC
InChI InChI=1S/C9H5F6NO/c10-8(11,12)5-1-3-6(4-2-5)16-7(17)9(13,14)15/h1-4H,(H,16,17)
InChIKey NAQZKEOLDQOSEN-UHFFFAOYSA-N
Mol Weight 257.14 g/mol
Molecular Formula C9H5F6NO
Exact Mass 257.027533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1EOk9mNyxq8
Name Leflunomide artifact TFA @
Classification Antirheumatic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 257.027532762 u
Formula C9H5F6NO
InChI InChI=1S/C9H5F6NO/c10-8(11,12)5-1-3-6(4-2-5)16-7(17)9(13,14)15/h1-4H,(H,16,17)
InChIKey NAQZKEOLDQOSEN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 257.135 g/mol
SMILES c1(ccc(NC(=O)C(F)(F)F)cc1)C(F)(F)F
SPLASH splash10-02ta-9710000000-a3765d35c73c8c8d022d
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Leflunomide artifact (4-trifluoromethylaniline) TFA 4-Trifluoromethylaniline TFA
Technique GC/MS
Wiley ID MMPW6e_8397