CID 1590833

1-allyl-3-(4-chlorophenyl)urea

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

C=CCNC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H11ClN2O/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H2,12,13,14)

InChIKey

IXOORKMHZKVPBC-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-prop-2-enylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 210.05598 Da
Monoisotopic Mass: 2.2
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	144.8
[M+Na]+	233.04520	156.5
[M+NH4]+	228.08980	152.9
[M+K]+	249.01914	149.4
[M-H]-	209.04870	147.5
[M+Na-2H]-	231.03065	151.4
[M]+	210.05543	147.3
[M]-	210.05653	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.