CID 5271378

69123-95-1

Structural Information

Molecular Formula
C9H10F2N2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)F
InChI
InChI=1S/C9H10F2N2O5/c10-3-1-13(9(17)12-7(3)16)8-5(11)6(15)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1
InChIKey
QURNODSOJKSTBM-BYPJNBLXSA-N
Compound name
5-fluoro-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

264.0558 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.063076 150.9
[M+Na]+ 287.045018 161.9
[M-H]- 263.048524 150.5
[M+NH4]+ 282.089623 163.9
[M+K]+ 303.018958 158.4
[M+H-H2O]+ 247.053060 142.8
[M+HCOO]- 309.054001 165.8
[M+CH3COO]- 323.069651 187.9
[M+Na-2H]- 285.030466 151.1
[M]+ 264.05525142 148.3
[M]- 264.05634858 148.3
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

patents stripe