CID 452032

2'f-dd-arau

Structural Information

Molecular Formula
C9H11FN2O4
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C9H11FN2O4/c10-6-3-5(4-13)16-8(6)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4H2,(H,11,14,15)/t5-,6-,8+/m0/s1
InChIKey
YTLACGJEZOUGQP-VMHSAVOQSA-N
Compound name
1-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

22
Patents

230.07028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07756 144.9
[M+Na]+ 253.05950 154.7
[M-H]- 229.06300 146.5
[M+NH4]+ 248.10410 159.6
[M+K]+ 269.03344 151.9
[M+H-H2O]+ 213.06754 137.1
[M+HCOO]- 275.06848 162.3
[M+CH3COO]- 289.08413 182.4
[M+Na-2H]- 251.04495 147.4
[M]+ 230.06973 142.9
[M]- 230.07083 142.9
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.