Dataset

Chlorothalonil TP SYN548580

This MassBank record with Accession MSBNK-Eawag-EQ434059 contains the MS2 mass spectrum of Chlorothalonil TP SYN548580 with the InChIkey XERUIVSANADXCP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H5Cl3N2O3/c9-3-1(7(12)15)4(10)5(11)6(14)2(3)8(13)16/h14H,(H2,12,15)(H2,13,16)
SMILES NC(=O)c1c(O)c(Cl)c(Cl)c(C(=O)N)c1Cl
InChI Key XERUIVSANADXCP-UHFFFAOYSA-N
Molecular Formula C8H5Cl3N2O3
Exact Mass 281.937 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-EQ434059
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:59:07.242875
MetadataModified 2025-02-09T09:46:50.131168
MetadataPublished 2021-03-16
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
162420306 PubChem
The data in this table is sourced from UniChem at EBI.