SpectraBase Spectrum ID |
2lwlA4VucRk |
Name |
Trifluoroacetic acid |
CAS Registry Number |
76-05-1 |
Classification |
Derivatizing agent |
Comments |
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 |
986 |
Retention Index |
737 |
SMILES |
OC(C(F)(F)F)=O |
SPLASH |
splash10-0fr2-9000000000-3a22eced019b8892c4d0 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2,2,2-Trifluoroacetic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_032020 |