CID 473280

Chembl2112598

Structural Information

Molecular Formula
C9H9F3N2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@@H]2C([C@H]([C@@H](O2)CO)O)(F)F)F
InChI
InChI=1S/C9H9F3N2O5/c10-3-1-14(8(18)13-6(3)17)7-9(11,12)5(16)4(2-15)19-7/h1,4-5,7,15-16H,2H2,(H,13,17,18)/t4-,5-,7-/m0/s1
InChIKey
LCGLRLKIEIEMRM-VPLCAKHXSA-N
Compound name
1-[(2S,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.04636 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05364 151.3
[M+Na]+ 305.03558 163.3
[M-H]- 281.03908 149.9
[M+NH4]+ 300.08018 165.6
[M+K]+ 321.00952 159.7
[M+H-H2O]+ 265.04362 143.2
[M+HCOO]- 327.04456 165.2
[M+CH3COO]- 341.06021 190.3
[M+Na-2H]- 303.02103 152.5
[M]+ 282.04581 148.0
[M]- 282.04691 148.0
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

No patent data available for this compound.