CID 10837505

2-deoxy-2,2-difluoro-d-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate

Structural Information

Molecular Formula
C20H18F2O8S
SMILES
CS(=O)(=O)OC1C([C@H]([C@@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)(F)F
InChI
InChI=1S/C20H18F2O8S/c1-31(25,26)30-19-20(21,22)16(29-18(24)14-10-6-3-7-11-14)15(28-19)12-27-17(23)13-8-4-2-5-9-13/h2-11,15-16,19H,12H2,1H3/t15-,16-,19?/m0/s1
InChIKey
LIAQHZDWFACWFK-NRAVZPKASA-N
Compound name
[(2S,3S)-3-benzoyloxy-4,4-difluoro-5-methylsulfonyloxyoxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

456.06903 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.07631 202.2
[M+Na]+ 479.05825 209.5
[M+NH4]+ 474.10285 206.0
[M+K]+ 495.03219 204.9
[M-H]- 455.06175 201.6
[M+Na-2H]- 477.04370 206.4
[M]+ 456.06848 203.2
[M]- 456.06958 203.2
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.