Dataset

bisFBSI

This MassBank record with Accession MSBNK-Eawag-EQ01118252 contains the MS2 mass spectrum of bisFBSI with the InChIkey KZJUHXVCAHXJLR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8HF18NO4S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22/h27H
SMILES C(C(C(F)(F)S(=O)(=O)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
InChI Key KZJUHXVCAHXJLR-UHFFFAOYSA-N
Molecular Formula C8HF18NO4S2
Exact Mass 580.906 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-EQ01118252
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:02:29.760158
MetadataModified 2025-02-09T10:02:29.957181
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10211210 PubChem
16005695 PubChem: Thomson Pharma
SCHEMBL899196 SureChEMBL
DTXSID60880426 EPA CompTox Dashboard
J1.039.310H Nikkaji
ZINC000059436693 ZINC
The data in this table is sourced from UniChem at EBI.