Dataset

2,4-Dichlorophenol

This MassBank record with Accession MSBNK-Eawag-EQ00021052 contains the MS2 mass spectrum of 2,4-Dichlorophenol with the InChIkey HFZWRUODUSTPEG-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
SMILES	OC1=C(Cl)C=C(Cl)C=C1
InChI Key	HFZWRUODUSTPEG-UHFFFAOYSA-N
Molecular Formula	C6H4Cl2O
Exact Mass	161.964 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00021052
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:10:26.940113
MetadataModified	2025-02-09T10:10:27.119352
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15321765	PubChem: Thomson Pharma
8449	PubChem
PD124041	ProbesDrugs
SCHEMBL77936	SureChEMBL
120-83-2	ACToR
25167-81-1	ACToR
R669TG1950	FDA SRS
478043	eMolecules
1368	Brenda
HMDB0004811	Human Metabolome Database
16738	Rhea
CB4458696	ChemicalBook
125729	Brenda
10015986	NMRShiftDB
MCULE-7727906285	Mcule
C02625	KEGG Ligand
CHEMBL1143	ChEMBL
16738	ChEBI
5JC	PDBe
DTXSID1020439	EPA CompTox Dashboard
DCPHOM	CCDC
J2.005B	Nikkaji
CB1737295	ChemicalBook
ZINC000000388057	ZINC
The data in this table is sourced from UniChem at EBI.