CID 352823

1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C13H9Cl3N2O
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl3N2O/c14-8-2-1-3-9(6-8)17-13(19)18-10-4-5-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
InChIKey
QDGIEIGBQXURRS-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

838
Patents

313.97806 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98534 167.3
[M+Na]+ 336.96728 182.6
[M+NH4]+ 332.01188 176.1
[M+K]+ 352.94122 173.4
[M-H]- 312.97078 172.3
[M+Na-2H]- 334.95273 176.2
[M]+ 313.97751 171.8
[M]- 313.97861 171.8
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