Dataset

Ethiprole; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01124601 contains the MS2 mass spectrum of Ethiprole with the InChIkey FNELVJVBIYMIMC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3
SMILES CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N
InChI Key FNELVJVBIYMIMC-UHFFFAOYSA-N
Molecular Formula C13H9Cl2F3N4OS
Exact Mass 395.983 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-EQ01124601
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MetadataPublished 2023-04-27
Related Molecule
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81827 chebi
    CHEMBL2228921 chembl
    27048 surechembl
    9930667 pubchem
    5527E53JNB fdasrs
    PD206386 probes_and_drugs
    Molport-003-930-492 molport
    The data in this table is sourced from UniChem at EBI.