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 179.8
[M-H]- 301.05424 168.2
[M+NH4]+ 320.09534 175.7
[M+K]+ 341.02468 170.9
[M+H-H2O]+ 285.05878 155.2
[M+HCOO]- 347.05972 183.1
[M+CH3COO]- 361.07537 177.4
[M+Na-2H]- 323.03619 172.1
[M]+ 302.06097 163.7
[M]- 302.06207 163.7
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.