CID 302846

Carbanilide, 2-chloro-

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O

SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C13H11ClN2O/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)

InChIKey

SVGGRKQNMKAMDJ-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 24
Patents: 246.05598 Da
Monoisotopic Mass: 2.7
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]+	247.06326	153.9
[M+Na]+	269.04520	168.0
[M+NH4]+	264.08980	163.0
[M+K]+	285.01914	159.7
[M-H]-	245.04870	159.7
[M+Na-2H]-	267.03065	164.1
[M]+	246.05543	157.8
[M]-	246.05653	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe