CID 6496

Divinyl sulfone

Structural Information

Molecular Formula
C4H6O2S
SMILES
C=CS(=O)(=O)C=C
InChI
InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2
InChIKey
AFOSIXZFDONLBT-UHFFFAOYSA-N
Compound name
1-ethenylsulfonylethene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

394
References

74676
Patents

118.00885 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.01613 124.2
[M+Na]+ 140.99807 134.3
[M+NH4]+ 136.04267 131.7
[M+K]+ 156.97201 127.6
[M-H]- 117.00157 122.4
[M+Na-2H]- 138.98352 127.0
[M]+ 118.00830 125.4
[M]- 118.00940 125.4
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