CID 515085

[5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] nitrate

Structural Information

Molecular Formula
C9H10FN3O7
SMILES
C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O[N+](=O)[O-]
InChI
InChI=1S/C9H10FN3O7/c10-4-2-12(9(16)11-8(4)15)7-1-5(20-13(17)18)6(3-14)19-7/h2,5-7,14H,1,3H2,(H,11,15,16)
InChIKey
GATRUOCWFUMUMV-UHFFFAOYSA-N
Compound name
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.0503 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05758 154.6
[M+Na]+ 314.03952 162.7
[M-H]- 290.04302 156.5
[M+NH4]+ 309.08412 165.6
[M+K]+ 330.01346 156.8
[M+H-H2O]+ 274.04756 150.8
[M+HCOO]- 336.04850 173.1
[M+CH3COO]- 350.06415 187.3
[M+Na-2H]- 312.02497 159.4
[M]+ 291.04975 152.7
[M]- 291.05085 152.7
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

No patent data available for this compound.