CID 66348

Octathiocane

Structural Information

Molecular Formula

S₈

SMILES

S1SSSSSSS1

InChI

InChI=1S/S8/c1-2-4-6-8-7-5-3-1

InChIKey

JLQNHALFVCURHW-UHFFFAOYSA-N

Compound name

octathiocane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 2996
Patents: 255.77657 Da
Monoisotopic Mass: 3.5
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]+	256.78385	155.9
[M+Na]+	278.76579	159.5
[M-H]-	254.76929	153.3
[M+NH4]+	273.81039	159.9
[M+K]+	294.73973	152.4
[M+H-H2O]+	238.77383	152.4
[M+HCOO]-	300.77477	147.1
[M+CH3COO]-	314.79042	155.9
[M+Na-2H]-	276.75124	156.0
[M]+	255.77602	145.4
[M]-	255.77712	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe