CID 43486

11,14-dithiatetracosane

Structural Information

Molecular Formula

C₂₂H₄₆S₂

SMILES

CCCCCCCCCCSCCSCCCCCCCCCC

InChI

InChI=1S/C22H46S2/c1-3-5-7-9-11-13-15-17-19-23-21-22-24-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

InChIKey

NJNNTWRBFGHMTD-UHFFFAOYSA-N

Compound name

1-(2-decylsulfanylethylsulfanyl)decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 374.3041 Da
Monoisotopic Mass: 10.5
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]+	375.31138	196.0
[M+Na]+	397.29332	202.8
[M+NH4]+	392.33792	203.2
[M+K]+	413.26726	188.9
[M-H]-	373.29682	196.4
[M+Na-2H]-	395.27877	195.4
[M]+	374.30355	198.0
[M]-	374.30465	198.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe