CID 11311505

201419-80-9

Structural Information

Molecular Formula

C₅H₈O₈S₂

SMILES

C1C2(COS(=O)(=O)O1)COS(=O)(=O)OC2

InChI

InChI=1S/C5H8O8S2/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5/h1-4H2

InChIKey

YHTPVDJKWQQLPM-UHFFFAOYSA-N

Compound name

2,4,8,10-tetraoxa-3lambda6,9lambda6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 259.96606 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

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]+	260.973336	137.8
[M+Na]+	282.955278	146.0
[M-H]-	258.958784	145.3
[M+NH4]+	277.999883	155.0
[M+K]+	298.929218	150.4
[M+H-H2O]+	242.963320	135.3
[M+HCOO]-	304.964261	145.6
[M+CH3COO]-	318.979911	183.0
[M+Na-2H]-	280.940726	150.1
[M]+	259.96551142	142.1
[M]-	259.96660858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe