Dataset

Chlorothalonil TP SYN548581

This MassBank record with Accession MSBNK-Eawag-EQ500156 contains the MS2 mass spectrum of Chlorothalonil TP SYN548581 with the InChIkey GTKOZWUQRHEXJR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H3Cl3N2O4S/c9-4-2(1-12)7(18(15,16)17)6(11)5(10)3(4)8(13)14/h(H2,13,14)(H,15,16,17)
SMILES NC(=O)C1=C(Cl)C(Cl)=C(C(C#N)=C1Cl)S(O)(=O)=O
InChI Key GTKOZWUQRHEXJR-UHFFFAOYSA-N
Molecular Formula C8H3Cl3N2O4S
Exact Mass 327.888 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-EQ500156
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:09:05.635894
MetadataModified 2025-02-09T09:55:24.477062
MetadataPublished 2021-03-16
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139595145 PubChem
The data in this table is sourced from UniChem at EBI.