CID 302982

1,3-bis(4-fluorophenyl)urea

Structural Information

Molecular Formula
C13H10F2N2O
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)F)F
InChI
InChI=1S/C13H10F2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey
VEURDHASKSZBOL-UHFFFAOYSA-N
Compound name
1,3-bis(4-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

248.07613 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08341 151.4
[M+Na]+ 271.06535 158.8
[M-H]- 247.06885 155.8
[M+NH4]+ 266.10995 167.9
[M+K]+ 287.03929 154.6
[M+H-H2O]+ 231.07339 141.9
[M+HCOO]- 293.07433 175.5
[M+CH3COO]- 307.08998 197.3
[M+Na-2H]- 269.05080 156.8
[M]+ 248.07558 147.2
[M]- 248.07668 147.2
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