CID 295366

1-(3-chlorophenyl)-3-phenylurea

Structural Information

Molecular Formula
C13H11ClN2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H11ClN2O/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)
InChIKey
BQVXYHYXISZSEZ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

19
Patents

246.05598 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06326 153.0
[M+Na]+ 269.04520 160.2
[M-H]- 245.04870 159.6
[M+NH4]+ 264.08980 170.3
[M+K]+ 285.01914 155.0
[M+H-H2O]+ 229.05324 146.1
[M+HCOO]- 291.05418 174.7
[M+CH3COO]- 305.06983 194.4
[M+Na-2H]- 267.03065 159.8
[M]+ 246.05543 152.9
[M]- 246.05653 152.9
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