PubChemLite - 92051-23-5 (C15H19F3O12S)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	481.06221	187.4
[M+Na]+	503.04415	208.6
[M-H]-	479.04765	209.1
[M+NH4]+	498.08875	217.0
[M+K]+	519.01809	194.9
[M+H-H2O]+	463.05219	179.4
[M+HCOO]-	525.05313	222.9
[M+CH3COO]-	539.06878	229.6
[M+Na-2H]-	501.02960	186.6
[M]+	480.05438	205.1
[M]-	480.05548	205.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.06221

187.4

[M+Na]+

503.04415

208.6

[M-H]-

479.04765

209.1

[M+NH4]+

498.08875

217.0

[M+K]+

519.01809

194.9

[M+H-H2O]+

463.05219

179.4

[M+HCOO]-

525.05313

222.9

[M+CH3COO]-

539.06878

229.6

[M+Na-2H]-

501.02960

186.6

[M]+

480.05438

205.1

[M]-

480.05548

205.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

92051-23-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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