CID 469764

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

Structural Information

Molecular Formula
C9H11FN2O5
SMILES
C1C(COC(O1)CO)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C9H11FN2O5/c10-6-1-12(9(15)11-8(6)14)5-3-16-7(2-13)17-4-5/h1,5,7,13H,2-4H2,(H,11,14,15)
InChIKey
VVRYVOWLYSCPAO-UHFFFAOYSA-N
Compound name
5-fluoro-1-[2-(hydroxymethyl)-1,3-dioxan-5-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0652 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.072476 150.7
[M+Na]+ 269.054418 159.7
[M-H]- 245.057924 152.5
[M+NH4]+ 264.099023 161.3
[M+K]+ 285.028358 158.3
[M+H-H2O]+ 229.062460 141.7
[M+HCOO]- 291.063401 165.1
[M+CH3COO]- 305.079051 185.7
[M+Na-2H]- 267.039866 155.2
[M]+ 246.06465142 148.6
[M]- 246.06574858 148.6
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.