CID 448403

5'-fluoro-5'-deoxyadenosine

Structural Information

Molecular Formula
C10H12FN5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N
InChI
InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
InChIKey
QPVLKMICBYRPSX-KQYNXXCUSA-N
Compound name
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

46
Patents

269.0924 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09968 157.6
[M+Na]+ 292.08162 167.4
[M+NH4]+ 287.12622 162.0
[M+K]+ 308.05556 168.5
[M-H]- 268.08512 157.2
[M+Na-2H]- 290.06707 159.3
[M]+ 269.09185 158.3
[M]- 269.09295 158.3
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