Dataset

Fipronil sulfone; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-

This MassBank record with Accession MSBNK-CASMI_2016-SM884652 contains the MS2 mass spectrum of Fipronil sulfone with the InChIkey LGHZJDKSVUTELU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2
SMILES C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F
InChI Key LGHZJDKSVUTELU-UHFFFAOYSA-N
Molecular Formula C12H4Cl2F6N4O2S
Exact Mass 451.934 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM884652
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MetadataPublished 2016-12-12
Related Molecule
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83487 chebi
    922220 surechembl
    3078139 pubchem
    KE7T0T1PQ7 fdasrs
    PD209547 probes_and_drugs
    HMDB0252267 hmdb
    Molport-046-689-795 molport
    The data in this table is sourced from UniChem at EBI.