CID 3411090

1-(4-chloro-benzyl)-3-(4-chloro-phenyl)-urea

Structural Information

Molecular Formula
C14H12Cl2N2O
SMILES
C1=CC(=CC=C1CNC(=O)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2N2O/c15-11-3-1-10(2-4-11)9-17-14(19)18-13-7-5-12(16)6-8-13/h1-8H,9H2,(H2,17,18,19)
InChIKey
VLRPNCASDQIRIT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.03265 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03993 164.3
[M+Na]+ 317.02187 172.4
[M-H]- 293.02537 170.3
[M+NH4]+ 312.06647 180.5
[M+K]+ 332.99581 165.7
[M+H-H2O]+ 277.02991 158.2
[M+HCOO]- 339.03085 180.5
[M+CH3COO]- 353.04650 203.0
[M+Na-2H]- 315.00732 169.0
[M]+ 294.03210 166.4
[M]- 294.03320 166.4
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.