CID 30384

1-(3-chlorophenyl)-3-methylurea

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CNC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C8H9ClN2O/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12)
InChIKey
MIRQKFUBAFNLEI-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

184.04034 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 136.5
[M+Na]+ 207.02956 148.6
[M+NH4]+ 202.07416 145.1
[M+K]+ 223.00350 142.0
[M-H]- 183.03306 139.5
[M+Na-2H]- 205.01501 143.8
[M]+ 184.03979 139.1
[M]- 184.04089 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe