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

24
Patents

176.0871 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09438 137.9
[M+Na]+ 199.07632 145.4
[M-H]- 175.07982 138.3
[M+NH4]+ 194.12092 158.8
[M+K]+ 215.05026 143.0
[M+H-H2O]+ 159.08436 133.3
[M+HCOO]- 221.08530 155.1
[M+CH3COO]- 235.10095 178.7
[M+Na-2H]- 197.06177 141.0
[M]+ 176.08655 142.3
[M]- 176.08765 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe