CID 513604

Schembl8622529

Structural Information

Molecular Formula
C8H13FN3O5P
SMILES
C1=CN(C(=O)N=C1N)CC(CF)OCP(=O)(O)O
InChI
InChI=1S/C8H13FN3O5P/c9-3-6(17-5-18(14,15)16)4-12-2-1-7(10)11-8(12)13/h1-2,6H,3-5H2,(H2,10,11,13)(H2,14,15,16)
InChIKey
ANACFZHCZGUTBM-UHFFFAOYSA-N
Compound name
[1-(4-amino-2-oxopyrimidin-1-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

281.05768 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06496 159.0
[M+Na]+ 304.04690 166.1
[M-H]- 280.05040 154.7
[M+NH4]+ 299.09150 170.7
[M+K]+ 320.02084 164.3
[M+H-H2O]+ 264.05494 148.5
[M+HCOO]- 326.05588 181.3
[M+CH3COO]- 340.07153 195.4
[M+Na-2H]- 302.03235 160.2
[M]+ 281.05713 159.2
[M]- 281.05823 159.2
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