CID 929384

1-benzyl-3-(2-chloroacetyl)urea

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₂

SMILES

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

InChI

InChI=1S/C10H11ClN2O2/c11-6-9(14)13-10(15)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,13,14,15)

InChIKey

DXDRCKQAPGXXHW-UHFFFAOYSA-N

Compound name

N-(benzylcarbamoyl)-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.0509 Da
Monoisotopic Mass: 1.8
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]+	227.058176	148.5
[M+Na]+	249.040118	154.7
[M-H]-	225.043624	151.8
[M+NH4]+	244.084723	166.7
[M+K]+	265.014058	151.2
[M+H-H2O]+	209.048160	142.7
[M+HCOO]-	271.049101	169.2
[M+CH3COO]-	285.064751	190.0
[M+Na-2H]-	247.025566	153.7
[M]+	226.05035142	149.3
[M]-	226.05144858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.