CID 79798

Duralink hts

Structural Information

Molecular Formula

C₆H₁₄O₆S₄

SMILES

C(CCCSS(=O)(=O)O)CCSS(=O)(=O)O

InChI

InChI=1S/C6H14O6S4/c7-15(8,9)13-5-3-1-2-4-6-14-16(10,11)12/h1-6H2,(H,7,8,9)(H,10,11,12)

InChIKey

YLDBBIBJAUAZLM-UHFFFAOYSA-N

Compound name

1,6-bis(sulfosulfanyl)hexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 353
Patents: 309.96732 Da
Monoisotopic Mass: 0.3
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]+	310.97460	168.7
[M+Na]+	332.95654	172.1
[M+NH4]+	328.00114	172.7
[M+K]+	348.93048	164.1
[M-H]-	308.96004	163.9
[M+Na-2H]-	330.94199	165.1
[M]+	309.96677	169.1
[M]-	309.96787	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe