CID 28667

2-chloro-n-(3-methoxyphenyl)acetamide

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

COC1=CC=CC(=C1)NC(=O)CCl

InChI

InChI=1S/C9H10ClNO2/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)

InChIKey

JJNAIBJFYFWTIA-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 199.04001 Da
Monoisotopic Mass: 1.9
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]+	200.04729	139.3
[M+Na]+	222.02923	152.0
[M+NH4]+	217.07383	147.8
[M+K]+	238.00317	145.4
[M-H]-	198.03273	141.6
[M+Na-2H]-	220.01468	146.3
[M]+	199.03946	141.9
[M]-	199.04056	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe