CID 266468

1-(3-chlorophenyl)-3-(3-fluorophenyl)urea

Structural Information

Molecular Formula
C13H10ClFN2O
SMILES
C1=CC(=CC(=C1)F)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H10ClFN2O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,(H2,16,17,18)
InChIKey
RHOPKNAPSLGREM-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(3-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

264.04657 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05385 155.4
[M+Na]+ 287.03579 163.7
[M-H]- 263.03929 161.0
[M+NH4]+ 282.08039 172.3
[M+K]+ 303.00973 158.0
[M+H-H2O]+ 247.04383 147.8
[M+HCOO]- 309.04477 176.1
[M+CH3COO]- 323.06042 198.3
[M+Na-2H]- 285.02124 161.0
[M]+ 264.04602 154.8
[M]- 264.04712 154.8
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.