Dataset

Perfluorobutylsulphonamide

This MassBank record with Accession MSBNK-Eawag-EQ501151 contains the MS2 mass spectrum of Perfluorobutylsulphonamide with the InChIkey FUVKFLJWBHVMHX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
SMILES C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F
InChI Key FUVKFLJWBHVMHX-UHFFFAOYSA-N
Molecular Formula C4H2F9NO2S
Exact Mass 298.966 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ501151
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:00:06.208662
MetadataModified 2025-02-09T09:55:39.029945
MetadataPublished 2021-03-16
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL2021790 SureChEMBL
78263 Brenda
ZINC000049672458 ZINC
DTXSID30880251 EPA CompTox Dashboard
G4V6K37HVR FDA SRS
16073478 PubChem: Thomson Pharma
10958205 PubChem
CB23372995 ChemicalBook
KPQ PDBe
118589680 PubChem
J755.099E Nikkaji
CHEMBL1076850 ChEMBL
The data in this table is sourced from UniChem at EBI.