CID 89117

Sulfone, hexyl vinyl

Structural Information

Molecular Formula

C₈H₁₆O₂S

SMILES

CCCCCCS(=O)(=O)C=C

InChI

InChI=1S/C8H16O2S/c1-3-5-6-7-8-11(9,10)4-2/h4H,2-3,5-8H2,1H3

InChIKey

UBDLKKKJTYCRRJ-UHFFFAOYSA-N

Compound name

1-ethenylsulfonylhexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 176.0871 Da
Monoisotopic Mass: 2.4
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]+	177.09438	141.5
[M+Na]+	199.07632	150.8
[M+NH4]+	194.12092	148.6
[M+K]+	215.05026	143.2
[M-H]-	175.07982	139.8
[M+Na-2H]-	197.06177	143.5
[M]+	176.08655	142.6
[M]-	176.08765	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe