CID 847414

1-(2-chlorophenyl)-3-cyclopropylurea

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C1CC1NC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C10H11ClN2O/c11-8-3-1-2-4-9(8)13-10(14)12-7-5-6-7/h1-4,7H,5-6H2,(H2,12,13,14)
InChIKey
KOMUOBBMWOSPEZ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-cyclopropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.05598 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 139.0
[M+Na]+ 233.04520 147.8
[M-H]- 209.04870 146.4
[M+NH4]+ 228.08980 153.4
[M+K]+ 249.01914 143.0
[M+H-H2O]+ 193.05324 133.1
[M+HCOO]- 255.05418 160.9
[M+CH3COO]- 269.06983 191.2
[M+Na-2H]- 231.03065 145.7
[M]+ 210.05543 141.4
[M]- 210.05653 141.4
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