CID 365527

2-cl-2'-f-ddp

Structural Information

Molecular Formula
C10H10ClFN4O2
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C2N=CN=C3Cl)CO
InChI
InChI=1S/C10H10ClFN4O2/c11-8-7-9(14-3-13-8)16(4-15-7)10-6(12)1-5(2-17)18-10/h3-6,10,17H,1-2H2/t5-,6-,10+/m0/s1
InChIKey
DZZDUTMJKITBNC-JFWOZONXSA-N
Compound name
[(2S,4S,5R)-5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

272.04764 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05492 155.6
[M+Na]+ 295.03686 167.9
[M-H]- 271.04036 157.0
[M+NH4]+ 290.08146 170.3
[M+K]+ 311.01080 163.6
[M+H-H2O]+ 255.04490 146.5
[M+HCOO]- 317.04584 168.0
[M+CH3COO]- 331.06149 167.4
[M+Na-2H]- 293.02231 157.6
[M]+ 272.04709 158.3
[M]- 272.04819 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