CID 83593

1-(4-chlorophenyl)-1,3-dimethylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

198.05598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.063256 141.5
[M+Na]+ 221.045198 149.3
[M-H]- 197.048704 146.8
[M+NH4]+ 216.089803 162.0
[M+K]+ 237.019138 147.0
[M+H-H2O]+ 181.053240 136.1
[M+HCOO]- 243.054181 163.6
[M+CH3COO]- 257.069831 190.1
[M+Na-2H]- 219.030646 147.0
[M]+ 198.05543142 143.6
[M]- 198.05652858 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