CID 3665905

N-(2-chlorobenzoyl)-n'-phenylurea

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O₂

SMILES

C1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H11ClN2O2/c15-12-9-5-4-8-11(12)13(18)17-14(19)16-10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19)

InChIKey

GHDWIKHMBLUSJZ-UHFFFAOYSA-N

Compound name

2-chloro-N-(phenylcarbamoyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 274.0509 Da
Monoisotopic Mass: 4.4
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]+	275.058176	160.0
[M+Na]+	297.040118	166.8
[M-H]-	273.043624	166.7
[M+NH4]+	292.084723	176.1
[M+K]+	313.014058	161.9
[M+H-H2O]+	257.048160	153.0
[M+HCOO]-	319.049101	180.8
[M+CH3COO]-	333.064751	199.0
[M+Na-2H]-	295.025566	165.2
[M]+	274.05035142	160.4
[M]-	274.05144858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe