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 145.1
[M+Na]+ 270.97448 153.0
[M-H]- 246.97798 143.5
[M+NH4]+ 266.01908 161.7
[M+K]+ 286.94842 151.6
[M+H-H2O]+ 230.98252 140.4
[M+HCOO]- 292.98346 162.4
[M+CH3COO]- 306.99911 179.3
[M+Na-2H]- 268.95993 146.7
[M]+ 247.98471 147.7
[M]- 247.98581 147.7
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.