CID 279081

108032-93-5

Structural Information

Molecular Formula
C20H24O9S
SMILES
CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3
InChIKey
JCKOUAWEMPKIAT-UHFFFAOYSA-N
Compound name
(3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

440.1141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12138 197.2
[M+Na]+ 463.10332 204.5
[M+NH4]+ 458.14792 199.9
[M+K]+ 479.07726 201.3
[M-H]- 439.10682 197.6
[M+Na-2H]- 461.08877 197.6
[M]+ 440.11355 198.3
[M]- 440.11465 198.3
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