CID 11113597

92051-23-5

Structural Information

Molecular Formula
C15H19F3O12S
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H19F3O12S/c1-6(19)25-5-10-11(26-7(2)20)12(27-8(3)21)13(14(29-10)28-9(4)22)30-31(23,24)15(16,17)18/h10-14H,5H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1
InChIKey
OIBDVHSTOUGZTJ-PEBLQZBPSA-N
Compound name
[(2R,3R,4S,5S,6S)-3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1631
Patents

480.05493 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.06221 202.6
[M+Na]+ 503.04415 202.7
[M+NH4]+ 498.08875 219.8
[M+K]+ 519.01809 204.4
[M-H]- 479.04765 192.7
[M+Na-2H]- 501.02960 196.3
[M]+ 480.05438 199.1
[M]- 480.05548 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe