CID 125224

66048-45-1

Structural Information

Molecular Formula
C10H11FN2O8
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)F
InChI
InChI=1S/C10H11FN2O8/c11-2-1-13(10(20)12-7(2)17)8-5(16)3(14)4(15)6(21-8)9(18)19/h1,3-6,8,14-16H,(H,18,19)(H,12,17,20)/t3-,4-,5+,6-,8+/m0/s1
InChIKey
LKZGKOYOKVWGFN-UQGZVRACSA-N
Compound name
(2S,3S,4S,5R,6R)-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

306.04996 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05724 166.0
[M+Na]+ 329.03918 174.3
[M+NH4]+ 324.08378 166.9
[M+K]+ 345.01312 174.8
[M-H]- 305.04268 162.5
[M+Na-2H]- 327.02463 164.4
[M]+ 306.04941 165.3
[M]- 306.05051 165.3
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