CID 19354

Methyl vinyl sulfone

Structural Information

Molecular Formula
C3H6O2S
SMILES
CS(=O)(=O)C=C
InChI
InChI=1S/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3
InChIKey
WUIJTQZXUURFQU-UHFFFAOYSA-N
Compound name
1-methylsulfonylethene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

6123
Patents

106.00885 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.016126 115.3
[M+Na]+ 128.998068 124.9
[M-H]- 105.001574 116.6
[M+NH4]+ 124.042673 138.9
[M+K]+ 144.972008 123.9
[M+H-H2O]+ 89.006110 111.7
[M+HCOO]- 151.007051 134.1
[M+CH3COO]- 165.022701 163.6
[M+Na-2H]- 126.983516 120.9
[M]+ 106.00830142 117.8
[M]- 106.00939858 117.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe