CID 206608

28242-23-1

Structural Information

Molecular Formula

C₁₄H₃₀O₂S₂

SMILES

CCS(=O)CCCCCCCCCCS(=O)CC

InChI

InChI=1S/C14H30O2S2/c1-3-17(15)13-11-9-7-5-6-8-10-12-14-18(16)4-2/h3-14H2,1-2H3

InChIKey

CVRHBRSXCPLOOB-UHFFFAOYSA-N

Compound name

1,10-bis(ethylsulfinyl)decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.16873 Da
Monoisotopic Mass: 2.6
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]+	295.176006	169.7
[M+Na]+	317.157948	173.0
[M-H]-	293.161454	168.3
[M+NH4]+	312.202553	185.6
[M+K]+	333.131888	168.6
[M+H-H2O]+	277.165990	162.9
[M+HCOO]-	339.166931	178.2
[M+CH3COO]-	353.182581	203.3
[M+Na-2H]-	315.143396	165.0
[M]+	294.16818142	176.7
[M]-	294.16927858	176.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.