SpectraBase Spectrum ID |
GV9cIDTFmfQ |
Name |
2,5-Difluorobenzoic acid |
CAS Registry Number |
393-52-2 |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
158.017935693 u |
Formula |
C7H4F2O2 |
InChI |
InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
InChIKey |
LBQMIAVIGLLBGW-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
158.104 g/mol |
Nominal Mass |
158 u |
Quality |
990 |
Retention Index |
1223 |
SMILES |
OC(C=1C(=CC=C(C1)F)F)=O |
SPLASH |
splash10-08fu-5900000000-216f5b4848ea26e83a7f |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2,5-difluorobenzoic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_005426 |