CID 460465

Nsc656309

Structural Information

Molecular Formula
C10H10F2N4O2
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C2N=CN=C3F)CO
InChI
InChI=1S/C10H10F2N4O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2/t5-,6-,10+/m0/s1
InChIKey
MDQWTVPCWCTNBW-JFWOZONXSA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

256.07718 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08446 151.4
[M+Na]+ 279.06640 163.2
[M-H]- 255.06990 151.8
[M+NH4]+ 274.11100 165.9
[M+K]+ 295.04034 159.8
[M+H-H2O]+ 239.07444 141.5
[M+HCOO]- 301.07538 167.5
[M+CH3COO]- 315.09103 163.2
[M+Na-2H]- 277.05185 153.4
[M]+ 256.07663 151.3
[M]- 256.07773 151.3
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