Dataset

Carfentrazone-ethyl; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00354305 contains the MS2 mass spectrum of Carfentrazone-ethyl with the InChIkey MLKCGVHIFJBRCD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3
SMILES CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl
InChI Key MLKCGVHIFJBRCD-UHFFFAOYSA-N
Molecular Formula C15H14Cl2F3N3O3
Exact Mass 411.036 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00354305
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MetadataPublished 2024-06-14
Related Molecule
  • ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:138244 chebi
    CHEMBL2145069 chembl
    29436144 surechembl
    38936 surechembl
    86222 pubchem
    45Y208AO5K fdasrs
    14344 brenda
    36348 brenda
    HMDB0249673 hmdb
    Molport-042-652-638 molport
    The data in this table is sourced from UniChem at EBI.