CID 460464

Nsc655257

Structural Information

Molecular Formula
C10H10FIN4O2
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C2N=CN=C3I)CO
InChI
InChI=1S/C10H10FIN4O2/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
GXLVFRXSVMYCGP-JFWOZONXSA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-(6-iodopurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

363.98325 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99053 151.8
[M+Na]+ 386.97247 156.3
[M-H]- 362.97597 146.7
[M+NH4]+ 382.01707 161.9
[M+K]+ 402.94641 158.9
[M+H-H2O]+ 346.98051 139.7
[M+HCOO]- 408.98145 164.4
[M+CH3COO]- 422.99710 159.9
[M+Na-2H]- 384.95792 143.6
[M]+ 363.98270 150.4
[M]- 363.98380 150.4
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