Dataset

Trichloronat; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01141108 contains the MS2 mass spectrum of Trichloronat with the InChIkey ANIAQSUBRGXWLS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3
SMILES CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI Key ANIAQSUBRGXWLS-UHFFFAOYSA-N
Molecular Formula C10H12Cl3O2PS
Exact Mass 331.936 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-EQ01141108
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82150 chebi
    CHEMBL1875361 chembl
    117717 surechembl
    29494642 surechembl
    9477 pubchem
    55228MJ5QM fdasrs
    The data in this table is sourced from UniChem at EBI.