CID 768083

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

Structural Information

Molecular Formula
C13H9Cl2FN2O
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)F
InChI
InChI=1S/C13H9Cl2FN2O/c14-11-6-5-10(7-12(11)15)18-13(19)17-9-3-1-8(16)2-4-9/h1-7H,(H2,17,18,19)
InChIKey
XEQQGFZJDTZBFF-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

298.0076 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01488 161.7
[M+Na]+ 320.99682 171.3
[M-H]- 297.00032 166.9
[M+NH4]+ 316.04142 178.0
[M+K]+ 336.97076 164.4
[M+H-H2O]+ 281.00486 155.1
[M+HCOO]- 343.00580 177.3
[M+CH3COO]- 357.02145 203.8
[M+Na-2H]- 318.98227 165.7
[M]+ 298.00705 162.9
[M]- 298.00815 162.9
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.