Dataset

Chlorothalonil-TP R471811

This MassBank record with Accession MSBNK-Eawag-EQ417107 contains the MS2 mass spectrum of Chlorothalonil-TP R471811 with the InChIkey NLCNUAPJCIAONV-UHFFFAOYSA-N.

Chemical Info

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-EQ417107
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:18:36.344094
MetadataModified 2025-02-09T09:43:13.120117
MetadataPublished 2019-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
138402810 PubChem
DTXSID30891327 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.