| SpectraBase Spectrum ID |
A1gU85khipK |
| Name |
Diflunisal |
| CAS Registry Number |
27494-42-4 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
250.044150441 u |
| Formula |
C13H8F2O3 |
| InChI |
InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) |
| InChIKey |
HUPFGZXOMWLGNK-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
250.201 g/mol |
| Nominal Mass |
250 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
249.037 |
| SMILES |
OC=1C=CC(=CC1C(O)=O)C1=C(F)C=C(F)C=C1 |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_57.7 |
