SpectraBase Spectrum ID |
DoatPb9K7Jw |
Name |
3-(Trifluoromethyl)benzoic acid |
CAS Registry Number |
454-92-2 |
Classification |
Chemical |
Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
190.024163888 u |
Formula |
C8H5F3O2 |
InChI |
InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
InChIKey |
FQXQBFUUVCDIRK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
190.121 g/mol |
Nominal Mass |
190 u |
Quality |
987 |
Retention Index |
1180 |
SMILES |
OC(C=1C=C(C(F)(F)F)C=CC1)=O |
SPLASH |
splash10-006t-9600000000-77f938536811c2825331 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-(trifluoromethyl)benzoic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_004462 |