CID 294986

1-(3-chlorophenyl)-3-(2,5-dichlorophenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.97806 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98534 166.2
[M+Na]+ 336.96728 175.5
[M-H]- 312.97078 171.3
[M+NH4]+ 332.01188 181.8
[M+K]+ 352.94122 168.4
[M+H-H2O]+ 296.97532 161.2
[M+HCOO]- 358.97626 177.2
[M+CH3COO]- 372.99191 206.1
[M+Na-2H]- 334.95273 169.5
[M]+ 313.97751 168.7
[M]- 313.97861 168.7
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

No patent data available for this compound.