CID 135392650

2168206-78-6

Structural Information

Molecular Formula
C5H6O2S
SMILES
C#CC1CS(=O)(=O)C1
InChI
InChI=1S/C5H6O2S/c1-2-5-3-8(6,7)4-5/h1,5H,3-4H2
InChIKey
WWWXHHGHDCIGEG-UHFFFAOYSA-N
Compound name
3-ethynylthietane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.00885 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.01613 114.8
[M+Na]+ 152.99807 121.5
[M+NH4]+ 148.04267 117.7
[M+K]+ 168.97201 113.0
[M-H]- 129.00157 105.7
[M+Na-2H]- 150.98352 116.3
[M]+ 130.00830 111.7
[M]- 130.00940 111.7
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

No patent data available for this compound.