CID 532059

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

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

COC1=CC=C(C=C1)NC(=O)CCCl

InChI

InChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13)

InChIKey

ZVNNQFDBJXKWOE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 213.05565 Da
Monoisotopic Mass: 1.6
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	143.9
[M+Na]+	236.04487	156.4
[M+NH4]+	231.08947	152.2
[M+K]+	252.01881	149.5
[M-H]-	212.04837	146.1
[M+Na-2H]-	234.03032	150.6
[M]+	213.05510	146.4
[M]-	213.05620	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe