| SpectraBase Spectrum ID |
5K4xHczp8i |
| Name |
Diflunisal MS2 |
| CAS Registry Number |
22494-42-4 |
| Comments |
F: ITMS + c ESI d w Full ms2 251.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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 |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=CC(=CC=C1O)C1=C(F)C=C(C=C1)F)=O |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
