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]+ 247.07248 150.7
[M+Na]+ 269.05442 159.7
[M-H]- 245.05792 152.5
[M+NH4]+ 264.09902 161.3
[M+K]+ 285.02836 158.3
[M+H-H2O]+ 229.06246 141.7
[M+HCOO]- 291.06340 165.1
[M+CH3COO]- 305.07905 185.7
[M+Na-2H]- 267.03987 155.2
[M]+ 246.06465 148.6
[M]- 246.06575 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.