CID 250642

1-(3,4-dichlorophenyl)-3-phenylurea

Structural Information

Molecular Formula
C13H10Cl2N2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2N2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h1-8H,(H2,16,17,18)
InChIKey
QQYLEGFGULSHPX-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

280.01703 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02431 160.2
[M+Na]+ 303.00625 175.1
[M+NH4]+ 298.05085 169.3
[M+K]+ 318.98019 166.3
[M-H]- 279.00975 165.7
[M+Na-2H]- 300.99170 169.9
[M]+ 280.01648 164.5
[M]- 280.01758 164.5
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