CID 72248

2',3'-dideoxy-2'-fluoroadenosine

Structural Information

Molecular Formula
C10H12FN5O2
SMILES
C1[C@H](O[C@H]([C@@H]1F)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H12FN5O2/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,(H2,12,13,14)/t5-,6+,10+/m0/s1
InChIKey
KBEMFSMODRNJHE-BAJZRUMYSA-N
Compound name
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

4445
Patents

253.0975 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10478 152.7
[M+Na]+ 276.08672 163.6
[M-H]- 252.09022 154.2
[M+NH4]+ 271.13132 166.9
[M+K]+ 292.06066 160.3
[M+H-H2O]+ 236.09476 143.5
[M+HCOO]- 298.09570 170.4
[M+CH3COO]- 312.11135 164.4
[M+Na-2H]- 274.07217 155.2
[M]+ 253.09695 152.2
[M]- 253.09805 152.2
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