CID 14217

Divinyl sulfoxide

Structural Information

Molecular Formula
C4H6OS
SMILES
C=CS(=O)C=C
InChI
InChI=1S/C4H6OS/c1-3-6(5)4-2/h3-4H,1-2H2
InChIKey
HQSMEHLVLOGBCK-UHFFFAOYSA-N
Compound name
1-ethenylsulfinylethene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

1875
Patents

102.01394 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.02122 119.7
[M+Na]+ 125.00316 130.3
[M+NH4]+ 120.04776 128.2
[M+K]+ 140.97710 122.8
[M-H]- 101.00666 119.3
[M+Na-2H]- 122.98861 123.0
[M]+ 102.01339 121.3
[M]- 102.01449 121.3
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