CID 3063627

Urea, (m-chlorobenzoyl)-

Structural Information

Molecular Formula

C₈H₇ClN₂O₂

SMILES

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

InChI

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

InChIKey

IGGSBZRKJKKLBF-UHFFFAOYSA-N

Compound name

N-carbamoyl-3-chlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.0196 Da
Monoisotopic Mass: 1.7
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]+	199.026876	139.2
[M+Na]+	221.008818	147.2
[M-H]-	197.012324	142.8
[M+NH4]+	216.053423	158.5
[M+K]+	236.982758	143.9
[M+H-H2O]+	181.016860	134.2
[M+HCOO]-	243.017801	160.0
[M+CH3COO]-	257.033451	185.2
[M+Na-2H]-	218.994266	143.7
[M]+	198.01905142	138.8
[M]-	198.02014858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe