Dataset

Florpyrauxifen-Benzyl; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01125609 contains the MS2 mass spectrum of Florpyrauxifen-Benzyl with the InChIkey WNZCDFOXYNRBRB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H14Cl2F2N2O3/c1-28-19-12(21)8-7-11(14(19)23)17-15(24)16(25)13(22)18(26-17)20(27)29-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,25,26)
SMILES COC1=C(C=CC(=C1F)C2=NC(=C(C(=C2F)N)Cl)C(=O)OCC3=CC=CC=C3)Cl
InChI Key WNZCDFOXYNRBRB-UHFFFAOYSA-N
Molecular Formula C20H14Cl2F2N2O3
Exact Mass 438.035 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-EQ01125609
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MetadataPublished 2023-04-27
Related Molecule
  • benzyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:133651 chebi
    11022910 surechembl
    29381465 surechembl
    29390544 surechembl
    70495450 pubchem
    38NVT24JZA fdasrs
    The data in this table is sourced from UniChem at EBI.