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

3
Patents

210.05598 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe