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

*Links on SpectraBase are not permalinks.
N-(3-Bromophenyl)-2,2,2-trifluoro-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SpectraBase Compound ID K3UM9rydqfx
InChI InChI=1S/C21H22BrF3N2O/c22-17-7-4-8-19(15-17)27(20(28)21(23,24)25)18-10-13-26(14-11-18)12-9-16-5-2-1-3-6-16/h1-8,15,18H,9-14H2
InChIKey BRKCUQCPVBIRCN-UHFFFAOYSA-N
Mol Weight 455.32 g/mol
Molecular Formula C21H22BrF3N2O
Exact Mass 454.086761 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 JG1GpzfVBPE
Name N-(3-Bromophenyl)-2,2,2-trifluoro-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 454.086760824 u
Formula C21H22BrF3N2O
InChI InChI=1S/C21H22BrF3N2O/c22-17-7-4-8-19(15-17)27(20(28)21(23,24)25)18-10-13-26(14-11-18)12-9-16-5-2-1-3-6-16/h1-8,15,18H,9-14H2
InChIKey BRKCUQCPVBIRCN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 455.319 g/mol
Nominal Mass 454 u
Quality 994
Retention Index 2699
SMILES C=1(N(C2CCN(CC2)CCC=2C=CC=CC2)C(C(F)(F)F)=O)C=C(C=CC1)Br
SPLASH splash10-0300-4329000000-5298ec20da0ea91c72ed
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(2,2,2-trifluoroacetyl)-phenyl+(3-bromophenyl))
Technique GC/MS
Wiley ID DD2024_034031