Dataset

3,5-Dichloroaniline

This MassBank record with Accession MSBNK-Eawag-EQ01134708 contains the MS2 mass spectrum of 3,5-Dichloroaniline with the InChIkey UQRLKWGPEVNVHT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
SMILES C1=C(C=C(C=C1Cl)Cl)N
InChI Key UQRLKWGPEVNVHT-UHFFFAOYSA-N
Molecular Formula C6H5Cl2N
Exact Mass 160.980 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01134708
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:26:27.556694
MetadataModified 2025-02-09T09:58:46.435853
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
43255 Brenda
CB9402144 ChemicalBook
OZ75ZM1S3G FDA SRS
MCULE-9518503559 Mcule
485802 eMolecules
SCHEMBL127074 SureChEMBL
626-43-7 ACToR
15091219 PubChem: Thomson Pharma
12281 PubChem
10023532 NMRShiftDB
HMDB0246050 Human Metabolome Database
J43.173G Nikkaji
DTXSID7030307 EPA CompTox Dashboard
ZINC000000157609 ZINC
WEMDUN CCDC
CHEMBL1451208 ChEMBL
19904 ChEBI
The data in this table is sourced from UniChem at EBI.