CID 469768

1-(2,3-dideoxy-2,2-difluoro-.beta.-l-glyceropentofuranosyl)uracil

Structural Information

Molecular Formula
C9H10F2N2O4
SMILES
C1[C@@H](O[C@@H](C1(F)F)N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C9H10F2N2O4/c10-9(11)3-5(4-14)17-7(9)13-2-1-6(15)12-8(13)16/h1-2,5,7,14H,3-4H2,(H,12,15,16)/t5-,7+/m1/s1
InChIKey
KMAHYCPLUMUCEF-VDTYLAMSSA-N
Compound name
1-[(2S,5R)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.06087 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06815 145.8
[M+Na]+ 271.05009 156.6
[M-H]- 247.05359 146.4
[M+NH4]+ 266.09469 161.8
[M+K]+ 287.02403 153.7
[M+H-H2O]+ 231.05813 137.9
[M+HCOO]- 293.05907 162.2
[M+CH3COO]- 307.07472 184.7
[M+Na-2H]- 269.03554 149.2
[M]+ 248.06032 143.1
[M]- 248.06142 143.1
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.