CID 473465

(s)-fpmpmap

Structural Information

Molecular Formula
C9H13FN5O4P
SMILES
C1=C2C(=NC(=N1)N)N(C=N2)C[C@@H](CF)OCP(=O)(O)O
InChI
InChI=1S/C9H13FN5O4P/c10-1-6(19-5-20(16,17)18)3-15-4-13-7-2-12-9(11)14-8(7)15/h2,4,6H,1,3,5H2,(H2,11,12,14)(H2,16,17,18)/t6-/m1/s1
InChIKey
JDINPZMVSBDIFI-ZCFIWIBFSA-N
Compound name
[(2S)-1-(2-aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.0689 Da
Monoisotopic Mass

-1.8
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

No patent data available for this compound.