CID 49859736

5-fluoro-5-deoxy-d-ribulose 1-phosphate

Structural Information

Molecular Formula
C5H10FO7P
SMILES
C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)F
InChI
InChI=1S/C5H10FO7P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3,5,7,9H,1-2H2,(H2,10,11,12)/t3-,5-/m1/s1
InChIKey
RGVDXIXIXWVTIL-NQXXGFSBSA-N
Compound name
[(3R,4S)-5-fluoro-3,4-dihydroxy-2-oxopentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

232.01482 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02210 146.3
[M+Na]+ 255.00404 151.4
[M-H]- 231.00754 138.5
[M+NH4]+ 250.04864 161.3
[M+K]+ 270.97798 151.6
[M+H-H2O]+ 215.01208 138.9
[M+HCOO]- 277.01302 165.8
[M+CH3COO]- 291.02867 179.5
[M+Na-2H]- 252.98949 145.4
[M]+ 232.01427 146.1
[M]- 232.01537 146.1
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