CID 2735254

N-(2,4-dichlorophenyl)-n-methylacetamide

Structural Information

Molecular Formula

C₉H₉Cl₂NO

SMILES

CC(=O)N(C)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C9H9Cl2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3

InChIKey

NVSSRRQIUAFBIU-UHFFFAOYSA-N

Compound name

N-(2,4-dichlorophenyl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 217.00612 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.013396	141.4
[M+Na]+	239.995338	151.3
[M-H]-	215.998844	146.4
[M+NH4]+	235.039943	162.1
[M+K]+	255.969278	147.5
[M+H-H2O]+	200.003380	137.5
[M+HCOO]-	262.004321	157.4
[M+CH3COO]-	276.019971	191.7
[M+Na-2H]-	237.980786	145.4
[M]+	217.00557142	145.8
[M]-	217.00666858	145.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.