CID 45051063

N-(3-chlorophenyl)-n'-(2,4-dichlorobenzoyl)urea

Structural Information

Molecular Formula
C14H9Cl3N2O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl3N2O2/c15-8-2-1-3-10(6-8)18-14(21)19-13(20)11-5-4-9(16)7-12(11)17/h1-7H,(H2,18,19,20,21)
InChIKey
LQTOSRQPCZAKOW-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-[(3-chlorophenyl)carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.97296 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.98024 171.8
[M+Na]+ 364.96218 180.7
[M-H]- 340.96568 177.1
[M+NH4]+ 360.00678 186.3
[M+K]+ 380.93612 174.1
[M+H-H2O]+ 324.97022 166.8
[M+HCOO]- 386.97116 182.1
[M+CH3COO]- 400.98681 210.5
[M+Na-2H]- 362.94763 173.7
[M]+ 341.97241 174.9
[M]- 341.97351 174.9
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.