CID 266477

1-(3-chlorophenyl)-3-(4-fluorophenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

264.04657 Da
Monoisotopic Mass

4.2
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

patents stripe