Dataset

Fipronil sulfide; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU242005 contains the MS2 mass spectrum of Fipronil sulfide with the InChIkey FQXWEKADCSXYOC-UHFFFAOYSA-N.

Chemical Information

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-AU242005
Version
Author
Maintainer
Language
MetadataPublished 2019-05-31
Related Molecule
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
    • 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.