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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.