Dataset

1-Chlorobenzotriazole

This MassBank record with Accession MSBNK-Athens_Univ-AU405503 contains the MS2 mass spectrum of 1-Chlorobenzotriazole with the InChIkey INOGLHRUEYDAHX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H
SMILES C1=CC=C2C(=C1)N=NN2Cl
InChI Key INOGLHRUEYDAHX-UHFFFAOYSA-N
Molecular Formula C6H4ClN3
Exact Mass 153.009 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU405503
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:59:35.951040
MetadataModified 2025-02-08T19:11:36.820778
MetadataPublished 2016-02-22
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4318765 eMolecules
16902029 PubChem: Thomson Pharma
21050-95-3 ACToR
SCHEMBL337232 SureChEMBL
CB7843615 ChemicalBook
ZINC000001731575 ZINC
DTXSID50175272 EPA CompTox Dashboard
PECTUO CCDC
J100.098E Nikkaji
88761 PubChem
The data in this table is sourced from UniChem at EBI.