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
5
Annotation Hits

396
References

86240
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 118.5
[M+Na]+ 140.99807 128.1
[M-H]- 117.00157 119.7
[M+NH4]+ 136.04267 141.6
[M+K]+ 156.97201 126.1
[M+H-H2O]+ 101.00611 114.8
[M+HCOO]- 163.00705 137.2
[M+CH3COO]- 177.02270 165.6
[M+Na-2H]- 138.98352 123.7
[M]+ 118.00830 120.7
[M]- 118.00940 120.7
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