CID 10976790

N-(anilinocarbonyl)-2-chloroacetamide

Structural Information

Molecular Formula

C₉H₉ClN₂O₂

SMILES

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

InChI

InChI=1S/C9H9ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14)

InChIKey

WYESSOGZWOBKGU-UHFFFAOYSA-N

Compound name

2-chloro-N-(phenylcarbamoyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 212.03525 Da
Monoisotopic Mass: 2.2
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]+	213.04253	143.7
[M+Na]+	235.02447	154.4
[M+NH4]+	230.06907	151.2
[M+K]+	250.99841	148.7
[M-H]-	211.02797	145.7
[M+Na-2H]-	233.00992	150.0
[M]+	212.03470	145.7
[M]-	212.03580	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe