CID 11480

3-(3-chlorophenyl)-1,1-dimethylurea

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CN(C)C(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)
InChIKey
QLQDWOFJALEHSP-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

114
Patents

198.05598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 141.5
[M+Na]+ 221.04520 149.3
[M-H]- 197.04870 146.8
[M+NH4]+ 216.08980 162.0
[M+K]+ 237.01914 147.0
[M+H-H2O]+ 181.05324 136.1
[M+HCOO]- 243.05418 163.6
[M+CH3COO]- 257.06983 190.1
[M+Na-2H]- 219.03065 147.0
[M]+ 198.05543 143.6
[M]- 198.05653 143.6
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