Dataset

3,4,5-Trichlorophenol

This MassBank record with Accession MSBNK-Athens_Univ-AU237358 contains the MS2 mass spectrum of 3,4,5-Trichlorophenol with the InChIkey GBNHEBQXJVDXSW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
SMILES OC1=CC(Cl)=C(Cl)C(Cl)=C1
InChI Key GBNHEBQXJVDXSW-UHFFFAOYSA-N
Molecular Formula C6H3Cl3O
Exact Mass 195.925 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU237358
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:50:15.400986
MetadataModified 2024-01-11T09:50:15.556862
MetadataPublished 2019-03-29
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J1.656J Nikkaji
UZOWEM CCDC
20209649 NMRShiftDB
2JF54EGE7O FDA SRS
15219959 PubChem: Thomson Pharma
609-19-8 ACToR
11859 PubChem
SCHEMBL330705 SureChEMBL
ZINC000001764636 ZINC
DTXSID4026212 EPA CompTox Dashboard
91350 BindingDB
CB8314004 ChemicalBook
24578 Brenda
37052335 eMolecules
CHEMBL1484480 ChEMBL
The data in this table is sourced from UniChem at EBI.