CID 25741

1-(3-chloro-4-methylphenyl)urea

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

CC1=C(C=C(C=C1)NC(=O)N)Cl

InChI

InChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)

InChIKey

GAFWRUXZGSUTHS-UHFFFAOYSA-N

Compound name

(3-chloro-4-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 138
Patents: 184.04034 Da
Monoisotopic Mass: 2.1
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]+	185.04762	136.2
[M+Na]+	207.02956	148.3
[M+NH4]+	202.07416	144.7
[M+K]+	223.00350	142.2
[M-H]-	183.03306	139.0
[M+Na-2H]-	205.01501	142.8
[M]+	184.03979	138.8
[M]-	184.04089	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe