CID 96219

(p-chlorobenzoyl)urea

Structural Information

Molecular Formula

C₈H₇ClN₂O₂

SMILES

C1=CC(=CC=C1C(=O)NC(=O)N)Cl

InChI

InChI=1S/C8H7ClN2O2/c9-6-3-1-5(2-4-6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)

InChIKey

MNHHLWJCIUJUKT-UHFFFAOYSA-N

Compound name

N-carbamoyl-4-chlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 198.0196 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]+	199.02688	139.2
[M+Na]+	221.00882	147.2
[M-H]-	197.01232	142.8
[M+NH4]+	216.05342	158.5
[M+K]+	236.98276	143.9
[M+H-H2O]+	181.01686	134.2
[M+HCOO]-	243.01780	160.0
[M+CH3COO]-	257.03345	185.2
[M+Na-2H]-	218.99427	143.7
[M]+	198.01905	138.8
[M]-	198.02015	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe