| SpectraBase Spectrum ID |
8JAG6UFRmIC |
| Name |
4-Fluoro-2-(trifluoromethyl)benzoic acid |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.014742019 u |
| Formula |
C8H4F4O2 |
| InChI |
InChI=1S/C8H4F4O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14) |
| InChIKey |
JUHPDXOIGLHXTC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.112 g/mol |
| Nominal Mass |
208 u |
| Quality |
993 |
| Retention Index |
1253 |
| SMILES |
OC(C=1C(C(F)(F)F)=CC(=CC1)F)=O |
| SPLASH |
splash10-0006-3920000000-db1f6a14c7e612aeb1d6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-fluoro-2-(trifluoromethyl)benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004824 |
