CID 139946

1-(2-chlorophenyl)-3-methylurea

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CNC(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C8H9ClN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)
InChIKey
NFUCGJBURDOBPQ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

184.04034 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe