CID 473281

5-chloro-1-[(2s,4s,5s)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H9ClF2N2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@@H]2C([C@H]([C@@H](O2)CO)O)(F)F)Cl
InChI
InChI=1S/C9H9ClF2N2O5/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
VFMXGFVRNQKMTC-VPLCAKHXSA-N
Compound name
5-chloro-1-[(2S,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.0168 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.02408 152.9
[M+Na]+ 321.00602 165.5
[M-H]- 297.00952 152.7
[M+NH4]+ 316.05062 167.5
[M+K]+ 336.97996 160.8
[M+H-H2O]+ 281.01406 146.5
[M+HCOO]- 343.01500 163.4
[M+CH3COO]- 357.03065 191.2
[M+Na-2H]- 318.99147 154.5
[M]+ 298.01625 152.7
[M]- 298.01735 152.7
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.