Dataset

Fipronil sulfide

This MassBank record with Accession MSBNK-Athens_Univ-AU242003 contains the MS2 mass spectrum of Fipronil sulfide with the InChIkey FQXWEKADCSXYOC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2
SMILES NC1=C(SC(F)(F)F)C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N
InChI Key FQXWEKADCSXYOC-UHFFFAOYSA-N
Molecular Formula C12H4Cl2F6N4S
Exact Mass 419.944 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-AU242003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:19.474979
MetadataModified 2025-02-08T19:08:02.903025
MetadataPublished 2019-05-31
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
9953940 PubChem
J514.721B Nikkaji
PAZFAY CCDC
83488 ChEBI
MTBLC83488 Metabolights
CB3500596 ChemicalBook
DTXSID50869644 EPA CompTox Dashboard
ZINC000034046644 ZINC
SCHEMBL15406 SureChEMBL
120067-83-6 ACToR
14929438 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.