CID 447864

2'-deoxy-2-fluoroadenosine

Structural Information

Molecular Formula
C10H12FN5O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)F)N)CO)O
InChI
InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
InChIKey
ZWPYUXAXLRFWQC-KVQBGUIXSA-N
Compound name
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

544
Patents

269.0924 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09968 156.5
[M+Na]+ 292.08162 167.6
[M-H]- 268.08512 157.2
[M+NH4]+ 287.12622 169.5
[M+K]+ 308.05556 164.1
[M+H-H2O]+ 252.08966 147.8
[M+HCOO]- 314.09060 172.9
[M+CH3COO]- 328.10625 167.7
[M+Na-2H]- 290.06707 158.0
[M]+ 269.09185 156.0
[M]- 269.09295 156.0
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