CID 453689

2,2'-dif-aradda

Structural Information

Molecular Formula
C10H11F2N5O2
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=C(N=C32)F)N)CO
InChI
InChI=1S/C10H11F2N5O2/c11-5-1-4(2-18)19-9(5)17-3-14-6-7(13)15-10(12)16-8(6)17/h3-5,9,18H,1-2H2,(H2,13,15,16)/t4-,5-,9+/m0/s1
InChIKey
XYJOAVMYZFFRQS-DQSPEZDDSA-N
Compound name
[(2S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

271.08807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09535 156.0
[M+Na]+ 294.07729 167.8
[M-H]- 270.08079 156.5
[M+NH4]+ 289.12189 169.6
[M+K]+ 310.05123 163.9
[M+H-H2O]+ 254.08533 146.1
[M+HCOO]- 316.08627 172.6
[M+CH3COO]- 330.10192 167.4
[M+Na-2H]- 292.06274 157.1
[M]+ 271.08752 154.8
[M]- 271.08862 154.8
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