CID 3072615

143501-89-7

Structural Information

Molecular Formula
C14H8F2N4O2
SMILES
C1=CC=C(C(=C1)C2=NC=C(C(=O)N2)F)C3=NC=C(C(=O)N3)F
InChI
InChI=1S/C14H8F2N4O2/c15-9-5-17-11(19-13(9)21)7-3-1-2-4-8(7)12-18-6-10(16)14(22)20-12/h1-6H,(H,17,19,21)(H,18,20,22)
InChIKey
CAOHYWHMHUVSOY-UHFFFAOYSA-N
Compound name
5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06152 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06880 167.6
[M+Na]+ 325.05074 182.5
[M+NH4]+ 320.09534 171.7
[M+K]+ 341.02468 176.2
[M-H]- 301.05424 167.6
[M+Na-2H]- 323.03619 175.7
[M]+ 302.06097 169.5
[M]- 302.06207 169.5
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

No patent data available for this compound.