CID 265652

Thietane 1,1-dioxide

Structural Information

Molecular Formula
C3H6O2S
SMILES
C1CS(=O)(=O)C1
InChI
InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2
InChIKey
FCFMKFHUNDYKEG-UHFFFAOYSA-N
Compound name
thietane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3756
Patents

106.00885 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.01613 109.7
[M+Na]+ 128.99807 117.0
[M-H]- 105.00157 113.9
[M+NH4]+ 124.04267 128.3
[M+K]+ 144.97201 119.5
[M+H-H2O]+ 89.006110 101.1
[M+HCOO]- 151.00705 128.1
[M+CH3COO]- 165.02270 165.8
[M+Na-2H]- 126.98352 115.9
[M]+ 106.00830 119.4
[M]- 106.00940 119.4
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