CID 4614656

1-(2,5-dichlorophenyl)-3-(2,4-difluorophenyl)urea

Structural Information

Molecular Formula
C13H8Cl2F2N2O
SMILES
C1=CC(=C(C=C1F)F)NC(=O)NC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2F2N2O/c14-7-1-3-9(15)12(5-7)19-13(20)18-11-4-2-8(16)6-10(11)17/h1-6H,(H2,18,19,20)
InChIKey
AEWILDNOSJPELU-UHFFFAOYSA-N
Compound name
1-(2,5-dichlorophenyl)-3-(2,4-difluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

315.99817 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.00545 163.8
[M+Na]+ 338.98739 174.3
[M-H]- 314.99089 167.9
[M+NH4]+ 334.03199 179.6
[M+K]+ 354.96133 167.0
[M+H-H2O]+ 298.99543 156.4
[M+HCOO]- 360.99637 178.3
[M+CH3COO]- 375.01202 207.7
[M+Na-2H]- 336.97284 166.6
[M]+ 315.99762 164.4
[M]- 315.99872 164.4
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

patents stripe