Dataset

4-Chloroaniline

This MassBank record with Accession MSBNK-Eawag-EQ00433305 contains the MS2 mass spectrum of 4-Chloroaniline with the InChIkey QSNSCYSYFYORTR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
SMILES	NC1=CC=C(Cl)C=C1
InChI Key	QSNSCYSYFYORTR-UHFFFAOYSA-N
Molecular Formula	C6H6ClN
Exact Mass	127.019 g/mol

Data and Resources

4-ChloroanilineHTML
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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-EQ00433305
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:07:20.841326
MetadataModified	2025-02-09T10:07:21.003763
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB8147309	ChemicalBook
3602	Brenda
104981	Brenda
106955	Brenda
20331	ChEBI
MCULE-6515849225	Mcule
7812	PubChem
10005685	NMRShiftDB
Z553SGH315	FDA SRS
14891497	PubChem: Thomson Pharma
SCHEMBL27544	SureChEMBL
106-47-8	ACToR
490444	eMolecules
DTXSID9020295	EPA CompTox Dashboard
ZINC000000403225	ZINC
CLANIC	CCDC
J4.034G	Nikkaji
HMDB0246391	Human Metabolome Database
50235880	BindingDB
C14450	KEGG Ligand
CHEMBL15888	ChEMBL
The data in this table is sourced from UniChem at EBI.