CID 234245

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

Structural Information

Molecular Formula
C14H12Cl2N2O
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2N2O/c15-11-6-7-12(16)13(8-11)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19)
InChIKey
UKRVYBIJAUQYBN-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2,5-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

294.03265 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03993 164.7
[M+Na]+ 317.02187 179.5
[M+NH4]+ 312.06647 173.7
[M+K]+ 332.99581 170.4
[M-H]- 293.02537 170.2
[M+Na-2H]- 315.00732 174.2
[M]+ 294.03210 169.0
[M]- 294.03320 169.0
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

No patent data available for this compound.