CID 532269

2-chloro-n-(4-methoxyphenyl)propanamide

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)Cl

InChI

InChI=1S/C10H12ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,12,13)

InChIKey

DGAWNIKUBVWNHS-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-methoxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.05565 Da
Monoisotopic Mass: 2.1
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]+	214.06293	144.2
[M+Na]+	236.04487	151.8
[M-H]-	212.04837	147.9
[M+NH4]+	231.08947	163.6
[M+K]+	252.01881	149.0
[M+H-H2O]+	196.05291	139.1
[M+HCOO]-	258.05385	163.6
[M+CH3COO]-	272.06950	188.3
[M+Na-2H]-	234.03032	148.5
[M]+	213.05510	147.0
[M]-	213.05620	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe