CID 310963

1-(3-fluorophenyl)-3-(3-nitrophenyl)urea

Structural Information

Molecular Formula
C13H10FN3O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C13H10FN3O3/c14-9-3-1-4-10(7-9)15-13(18)16-11-5-2-6-12(8-11)17(19)20/h1-8H,(H2,15,16,18)
InChIKey
KCBTVNMPNIYQDF-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-3-(3-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

275.07062 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07790 155.0
[M+Na]+ 298.05984 167.0
[M+NH4]+ 293.10444 161.7
[M+K]+ 314.03378 163.7
[M-H]- 274.06334 159.5
[M+Na-2H]- 296.04529 163.0
[M]+ 275.07007 157.6
[M]- 275.07117 157.6
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