CID 138395062

Dtxsid20897252

Structural Information

Molecular Formula
C8H9F7O5
SMILES
C([C@@H]1[C@H]([C@@]([C@H](O1)O)(C(C(C(F)(F)F)(F)F)(F)F)O)O)O
InChI
InChI=1S/C8H9F7O5/c9-6(10,7(11,12)8(13,14)15)5(19)3(17)2(1-16)20-4(5)18/h2-4,16-19H,1H2/t2-,3-,4+,5-/m1/s1
InChIKey
DUFTUFALYLRYFJ-SQOUGZDYSA-N
Compound name
(2S,3R,4R,5R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.0338 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04108 155.1
[M+Na]+ 341.02302 163.7
[M-H]- 317.02652 145.8
[M+NH4]+ 336.06762 169.2
[M+K]+ 356.99696 161.7
[M+H-H2O]+ 301.03106 148.1
[M+HCOO]- 363.03200 159.7
[M+CH3COO]- 377.04765 193.8
[M+Na-2H]- 339.00847 158.6
[M]+ 318.03325 143.8
[M]- 318.03435 143.8
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.