Dataset

Chlorothalonil-TP R471811; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ417151 contains the MS2 mass spectrum of Chlorothalonil-TP R471811 with the InChIkey NLCNUAPJCIAONV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H5Cl3N2O5S/c9-3-1(7(12)14)4(10)5(11)6(19(16,17)18)2(3)8(13)15/h(H2,12,14)(H2,13,15)(H,16,17,18)
SMILES NC(=O)C1=C(Cl)C(C(N)=O)=C(C(Cl)=C1Cl)S(O)(=O)=O
InChI Key NLCNUAPJCIAONV-UHFFFAOYSA-N
Molecular Formula C8H5Cl3N2O5S
Exact Mass 345.899 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-EQ417151
Version
Author
Maintainer
Language
MetadataPublished 2019-12-03
Related Molecule
  • 2,4-dicarbamoyl-3,5,6-trichlorobenzenesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138402810 pubchem
    The data in this table is sourced from UniChem at EBI.