CID 580002

1,2,4,5,7,8-hexathionane

Structural Information

Molecular Formula

C₃H₆S₆

SMILES

C1SSCSSCSS1

InChI

InChI=1S/C3H6S6/c1-4-6-2-8-9-3-7-5-1/h1-3H2

InChIKey

BWXFNUCDJXXBHX-UHFFFAOYSA-N

Compound name

1,2,4,5,7,8-hexathionane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.87938 Da
Monoisotopic Mass: 2.3
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]+	234.88666	192.8
[M+Na]+	256.86860	195.0
[M-H]-	232.87210	193.1
[M+NH4]+	251.91320	193.3
[M+K]+	272.84254	193.3
[M+H-H2O]+	216.87664	186.7
[M+HCOO]-	278.87758	194.0
[M+CH3COO]-	292.89323	194.6
[M+Na-2H]-	254.85405	195.6
[M]+	233.87883	193.6
[M]-	233.87993	193.6

Literature stripe

literature stripe

Patent stripe

patents stripe