CID 454136

5-fluoro-1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C8H9FN2O5
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C8H9FN2O5/c9-4-1-11(8(14)10-7(4)13)5-3-15-6(2-12)16-5/h1,5-6,12H,2-3H2,(H,10,13,14)/t5-,6-/m1/s1
InChIKey
BKAZLDCPHOOOKH-PHDIDXHHSA-N
Compound name
5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

232.04955 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05683 143.9
[M+Na]+ 255.03877 154.1
[M-H]- 231.04227 146.3
[M+NH4]+ 250.08337 157.1
[M+K]+ 271.01271 152.9
[M+H-H2O]+ 215.04681 136.2
[M+HCOO]- 277.04775 160.9
[M+CH3COO]- 291.06340 182.1
[M+Na-2H]- 253.02422 147.6
[M]+ 232.04900 143.6
[M]- 232.05010 143.6
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.