Dataset

Hexachlorophene

This MassBank record with Accession MSBNK-CASMI_2016-SM835553 contains the MS2 mass spectrum of Hexachlorophene with the InChIkey ACGUYXCXAPNIKK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
SMILES OC1=C(CC2=C(Cl)C(Cl)=CC(Cl)=C2O)C(Cl)=C(Cl)C=C1Cl
InChI Key ACGUYXCXAPNIKK-UHFFFAOYSA-N
Molecular Formula C13H6Cl6O2
Exact Mass 403.850 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM835553
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:42:01.737742
MetadataModified 2024-01-11T12:42:01.894624
MetadataPublished 2016-12-12
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables