CID 122652

135295-27-1

Structural Information

Molecular Formula
C9H13FN5O4P
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(CF)OCP(=O)(O)O)N
InChI
InChI=1S/C9H13FN5O4P/c10-1-6(19-5-20(16,17)18)2-15-4-14-7-8(11)12-3-13-9(7)15/h3-4,6H,1-2,5H2,(H2,11,12,13)(H2,16,17,18)
InChIKey
BFZJTDBFUROXJA-UHFFFAOYSA-N
Compound name
[1-(6-aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

577
Patents

305.0689 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07618 165.2
[M+Na]+ 328.05812 173.2
[M-H]- 304.06162 159.9
[M+NH4]+ 323.10272 175.9
[M+K]+ 344.03206 170.7
[M+H-H2O]+ 288.06616 153.8
[M+HCOO]- 350.06710 185.8
[M+CH3COO]- 364.08275 200.1
[M+Na-2H]- 326.04357 167.6
[M]+ 305.06835 166.6
[M]- 305.06945 166.6
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

patents stripe