CID 136629818

7-fluoro-2-hydroxy-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C8H5FN2O2
SMILES
C1=CC2=NC(=CC(=O)N2C=C1F)O
InChI
InChI=1S/C8H5FN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H
InChIKey
IJPUKUSYXQAGHU-UHFFFAOYSA-N
Compound name
7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

180.03351 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04079 131.6
[M+Na]+ 203.02273 143.6
[M-H]- 179.02623 131.9
[M+NH4]+ 198.06733 149.9
[M+K]+ 218.99667 139.8
[M+H-H2O]+ 163.03077 123.9
[M+HCOO]- 225.03171 151.8
[M+CH3COO]- 239.04736 178.0
[M+Na-2H]- 201.00818 140.4
[M]+ 180.03296 131.4
[M]- 180.03406 131.4
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