CID 472190

Chembl62799

Structural Information

Molecular Formula
C8H11FN5O4P
SMILES
C1=NC2=C(N=C(N=C2N1CCOCP(=O)(O)O)F)N
InChI
InChI=1S/C8H11FN5O4P/c9-8-12-6(10)5-7(13-8)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,10,12,13)(H2,15,16,17)
InChIKey
URLUKNGCWWWXBG-UHFFFAOYSA-N
Compound name
2-(6-amino-2-fluoropurin-9-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.05328 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06056 161.6
[M+Na]+ 314.04250 171.3
[M-H]- 290.04600 156.6
[M+NH4]+ 309.08710 173.2
[M+K]+ 330.01644 168.3
[M+H-H2O]+ 274.05054 150.5
[M+HCOO]- 336.05148 183.5
[M+CH3COO]- 350.06713 197.5
[M+Na-2H]- 312.02795 164.7
[M]+ 291.05273 163.6
[M]- 291.05383 163.6
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

No patent data available for this compound.