CID 16757554

[(3r,4s,5r)-3,4-dihydroxy-5-(chloromethyl)oxolan-2-yl] dihydrogen phosphate

Structural Information

Molecular Formula
C5H10ClO7P
SMILES
C([C@@H]1[C@H]([C@H](C(O1)OP(=O)(O)O)O)O)Cl
InChI
InChI=1S/C5H10ClO7P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1
InChIKey
DGVIESZNPVJDPQ-SOOFDHNKSA-N
Compound name
[(3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

247.98526 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99254 144.7
[M+Na]+ 270.97448 151.0
[M+NH4]+ 266.01908 148.6
[M+K]+ 286.94842 153.0
[M-H]- 246.97798 141.2
[M+Na-2H]- 268.95993 143.1
[M]+ 247.98471 144.2
[M]- 247.98581 144.2
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.