| SpectraBase Spectrum ID |
DoBqkeoHKRE |
| Name |
Trifluoroacetic acid |
| CAS Registry Number |
76-05-1 |
| Classification |
Derivatizing agent |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
801 |
| Retention Index |
737 |
| SMILES |
OC(C(F)(F)F)=O |
| SPLASH |
splash10-0fr2-9000000000-17237b97cdae63fb6db1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,2,2-Trifluoroacetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032157 |
