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Trifluoroacetic acid
SpectraBase Compound ID 4G3cv2HmDfG
InChI InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey DTQVDTLACAAQTR-UHFFFAOYSA-N
Mol Weight 114.023 g/mol
Molecular Formula C2HF3O2
Exact Mass 113.992864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mFfECIWd7I
Name Trifluoroacetic acid
CAS Registry Number 76-05-1
Classification Derivatizing agent
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 113.992863759 u
Formula C2HF3O2
InChI InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey DTQVDTLACAAQTR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 114.023 g/mol
Nominal Mass 114 u
Quality 974
Retention Index 737
SMILES OC(C(F)(F)F)=O
SPLASH splash10-0fr2-9000000000-bbedddd0ca25c21dd2b5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,2,2-Trifluoroacetic acid
Technique GC/MS
Wiley ID DD2024_009815