CID 44467

11,16-dithiahexacosane

Structural Information

Molecular Formula

C₂₄H₅₀S₂

SMILES

CCCCCCCCCCSCCCCSCCCCCCCCCC

InChI

InChI=1S/C24H50S2/c1-3-5-7-9-11-13-15-17-21-25-23-19-20-24-26-22-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

InChIKey

XUCTWWHKXOZGNX-UHFFFAOYSA-N

Compound name

1-(4-decylsulfanylbutylsulfanyl)decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 402.3354 Da
Monoisotopic Mass: 11.2
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]+	403.34268	201.7
[M+Na]+	425.32462	201.4
[M-H]-	401.32812	198.3
[M+NH4]+	420.36922	213.8
[M+K]+	441.29856	194.0
[M+H-H2O]+	385.33266	193.3
[M+HCOO]-	447.33360	208.5
[M+CH3COO]-	461.34925	228.7
[M+Na-2H]-	423.31007	194.5
[M]+	402.33485	212.1
[M]-	402.33595	212.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe