CID 831917

N-(3-chlorophenyl)-n'-cyclopropylurea

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C1CC1NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H11ClN2O/c11-7-2-1-3-9(6-7)13-10(14)12-8-4-5-8/h1-3,6,8H,4-5H2,(H2,12,13,14)
InChIKey
NCKKCXGGQIAKHO-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-cyclopropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

210.05598 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 139.0
[M+Na]+ 233.045198 147.8
[M-H]- 209.048704 146.4
[M+NH4]+ 228.089803 153.4
[M+K]+ 249.019138 143.0
[M+H-H2O]+ 193.053240 133.1
[M+HCOO]- 255.054181 160.9
[M+CH3COO]- 269.069831 191.2
[M+Na-2H]- 231.030646 145.7
[M]+ 210.05543142 141.4
[M]- 210.05652858 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

literature stripe

Patent stripe

patents stripe