CID 466394

1-(2,3-dideoxy-2,2-difluoro-.beta.-l-glyceropentofuranosyl)-5-fluorocytosine

Structural Information

Molecular Formula
C9H10F3N3O3
SMILES
C1[C@@H](O[C@@H](C1(F)F)N2C=C(C(=NC2=O)N)F)CO
InChI
InChI=1S/C9H10F3N3O3/c10-5-2-15(8(17)14-6(5)13)7-9(11,12)1-4(3-16)18-7/h2,4,7,16H,1,3H2,(H2,13,14,17)/t4-,7+/m1/s1
InChIKey
FTDUCXQSTNPOMO-FBCQKBJTSA-N
Compound name
4-amino-1-[(2S,5R)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0674 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07468 150.5
[M+Na]+ 288.05662 161.7
[M-H]- 264.06012 150.8
[M+NH4]+ 283.10122 166.2
[M+K]+ 304.03056 158.7
[M+H-H2O]+ 248.06466 141.4
[M+HCOO]- 310.06560 167.3
[M+CH3COO]- 324.08125 194.2
[M+Na-2H]- 286.04207 152.4
[M]+ 265.06685 146.5
[M]- 265.06795 146.5
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.