CID 2787282

13143-22-1

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O

SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O/c1-10-4-2-3-5-13(10)17-14(18)16-12-8-6-11(15)7-9-12/h2-9H,1H3,(H2,16,17,18)

InChIKey

ALYDDYRVYLNXDG-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 260.07166 Da
Monoisotopic Mass: 2.9
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]+	261.07894	157.8
[M+Na]+	283.06088	165.6
[M-H]-	259.06438	164.7
[M+NH4]+	278.10548	175.0
[M+K]+	299.03482	160.2
[M+H-H2O]+	243.06892	151.0
[M+HCOO]-	305.06986	179.2
[M+CH3COO]-	319.08551	198.6
[M+Na-2H]-	281.04633	163.4
[M]+	260.07111	158.6
[M]-	260.07221	158.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.