CID 6334742

1afu-hp

Structural Information

Molecular Formula
C9H9FN2O7P
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]3[C@@H](O3)[C@H](O2)CO[P+](=O)O)F
InChI
InChI=1S/C9H8FN2O7P/c10-3-1-12(9(14)11-7(3)13)8-6-5(19-6)4(18-8)2-17-20(15)16/h1,4-6,8H,2H2,(H-,11,13,14,15,16)/p+1/t4-,5+,6+,8-/m1/s1
InChIKey
FWVOBRWDCWRJLL-FZGKIIIMSA-O
Compound name
[(1S,2R,4R,5S)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.01315 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.02043 157.7
[M+Na]+ 330.00237 169.2
[M-H]- 306.00587 161.1
[M+NH4]+ 325.04697 164.5
[M+K]+ 345.97631 161.3
[M+H-H2O]+ 290.01041 150.8
[M+HCOO]- 352.01135 177.7
[M+CH3COO]- 366.02700 193.6
[M+Na-2H]- 327.98782 161.2
[M]+ 307.01260 162.7
[M]- 307.01370 162.7
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.