CID 10950541

122111-11-9

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?/m1/s1
InChIKey
LIAQHZDWFACWFK-QNRNLVPOSA-N
Compound name
[(2R,3R)-3-benzoyloxy-4,4-difluoro-5-methylsulfonyloxyoxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
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 199.2
[M+Na]+ 479.05825 205.7
[M-H]- 455.06175 207.0
[M+NH4]+ 474.10285 209.9
[M+K]+ 495.03219 205.0
[M+H-H2O]+ 439.06629 190.8
[M+HCOO]- 501.06723 211.7
[M+CH3COO]- 515.08288 223.3
[M+Na-2H]- 477.04370 199.4
[M]+ 456.06848 205.1
[M]- 456.06958 205.1
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

patents stripe