CID 1484506

[(2-chlorophenyl)methyl]urea

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

C1=CC=C(C(=C1)CNC(=O)N)Cl

InChI

InChI=1S/C8H9ClN2O/c9-7-4-2-1-3-6(7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)

InChIKey

HHMVBUXOIGWQAQ-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 33
Patents: 184.04034 Da
Monoisotopic Mass: 1.1
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]+	185.047616	137.1
[M+Na]+	207.029558	145.0
[M-H]-	183.033064	140.5
[M+NH4]+	202.074163	157.1
[M+K]+	223.003498	141.3
[M+H-H2O]+	167.037600	132.1
[M+HCOO]-	229.038541	158.3
[M+CH3COO]-	243.054191	183.7
[M+Na-2H]-	205.015006	142.8
[M]+	184.03979142	136.6
[M]-	184.04088858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe