CID 831917

N-(3-chlorophenyl)-n'-cyclopropylurea

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

C1CC1NC(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C10H11ClN2O/c11-7-2-1-3-9(6-7)13-10(14)12-8-4-5-8/h1-3,6,8H,4-5H2,(H2,12,13,14)

InChIKey

NCKKCXGGQIAKHO-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-cyclopropylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 210.05598 Da
Monoisotopic Mass: 2.3
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]+	211.06326	142.5
[M+Na]+	233.04520	155.8
[M+NH4]+	228.08980	151.9
[M+K]+	249.01914	150.5
[M-H]-	209.04870	153.5
[M+Na-2H]-	231.03065	152.9
[M]+	210.05543	148.7
[M]-	210.05653	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe