CID 10777

2'-chloroacetanilide

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC=CC=C1Cl

InChI

InChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)

InChIKey

KNVQTRVKSOEHPU-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1340
Patents: 169.02943 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]+	170.03671	131.9
[M+Na]+	192.01865	145.3
[M+NH4]+	187.06325	141.1
[M+K]+	207.99259	138.4
[M-H]-	168.02215	134.7
[M+Na-2H]-	190.00410	139.6
[M]+	169.02888	134.8
[M]-	169.02998	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe