Dataset

2-Trifluoromethyl-benzenesulfonamide

This MassBank record with Accession MSBNK-Athens_Univ-AU233758 contains the MS2 mass spectrum of 2-Trifluoromethyl-benzenesulfonamide with the InChIkey AFFPZJFLSDVZBV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13)
SMILES NS(=O)(=O)C1=C(C=CC=C1)C(F)(F)F
InChI Key AFFPZJFLSDVZBV-UHFFFAOYSA-N
Molecular Formula C7H6F3NO2S
Exact Mass 225.007 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU233758
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:45:32.258605
MetadataModified 2025-02-08T19:08:33.649057
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID80380751 EPA CompTox Dashboard
CB1211601 ChemicalBook
MCULE-1996048241 Mcule
ZINC000002584327 ZINC
SCHEMBL302570 SureChEMBL
16227320 PubChem: Thomson Pharma
2778018 PubChem
1869-24-5 ACToR
521795 eMolecules
The data in this table is sourced from UniChem at EBI.