Dataset

Chlorothalonil TP SYN548008; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ500054 contains the MS2 mass spectrum of Chlorothalonil TP SYN548008 with the InChIkey MTUJZIXTGNBGGD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6Cl2N2O8S2/c9-3-1(7(11)13)5(21(15,16)17)4(10)6(22(18,19)20)2(3)8(12)14/h(H2,11,13)(H2,12,14)(H,15,16,17)(H,18,19,20)
SMILES O=S(C1=C(C(N)=O)C(Cl)=C(C(N)=O)C(S(=O)(O)=O)=C1Cl)(O)=O
InChI Key MTUJZIXTGNBGGD-UHFFFAOYSA-N
Molecular Formula C8H6Cl2N2O8S2
Exact Mass 391.894 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-EQ500054
Version
Author
Maintainer
Language
MetadataPublished 2021-03-16
Related Molecule
  • 4,6-dicarbamoyl-2,5-dichlorobenzene-1,3-disulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162420307 PubChem
    The data in this table is sourced from UniChem at EBI.