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: 26
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]+	177.094376	137.9
[M+Na]+	199.076318	145.4
[M-H]-	175.079824	138.3
[M+NH4]+	194.120923	158.8
[M+K]+	215.050258	143.0
[M+H-H2O]+	159.084360	133.3
[M+HCOO]-	221.085301	155.1
[M+CH3COO]-	235.100951	178.7
[M+Na-2H]-	197.061766	141.0
[M]+	176.08655142	142.3
[M]-	176.08764858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe