Dataset

4-Chloro-N,N-Dimethylbenzamide

This MassBank record with Accession MSBNK-Eawag-EQ01099902 contains the MS2 mass spectrum of 4-Chloro-N,N-Dimethylbenzamide with the InChIkey FARSXMMESQDZMY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H10ClNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
SMILES CN(C)C(=O)C1=CC=C(C=C1)Cl
InChI Key FARSXMMESQDZMY-UHFFFAOYSA-N
Molecular Formula C9H10ClNO
Exact Mass 183.045 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-EQ01099902
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:03:01.164675
MetadataModified 2025-02-09T10:03:01.383256
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
551219 eMolecules
84180 PubChem
15786610 PubChem: Thomson Pharma
14062-80-7 ACToR
SCHEMBL3630523 SureChEMBL
CB8885784 ChemicalBook
J216.845F Nikkaji
ZINC000000500219 ZINC
DTXSID60161449 EPA CompTox Dashboard
MCULE-7137025331 Mcule
The data in this table is sourced from UniChem at EBI.