CID 4962306

2-chloro-n-[4-(cyanomethyl)phenyl]acetamide

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

C1=CC(=CC=C1CC#N)NC(=O)CCl

InChI

InChI=1S/C10H9ClN2O/c11-7-10(14)13-9-3-1-8(2-4-9)5-6-12/h1-4H,5,7H2,(H,13,14)

InChIKey

PZQDQLNOJDDHMM-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-(cyanomethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 208.04034 Da
Monoisotopic Mass: 1.3
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]+	209.04762	144.3
[M+Na]+	231.02956	156.2
[M+NH4]+	226.07416	149.2
[M+K]+	247.00350	146.3
[M-H]-	207.03306	139.4
[M+Na-2H]-	229.01501	148.4
[M]+	208.03979	143.9
[M]-	208.04089	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe