CID 100253

2'-fluoro-2'-deoxyadenosine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

33
References

3477
Patents

269.0924 Da
Monoisotopic Mass

0.0
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