CID 15418402

2,3-dihydroisothiazole 1,1-dioxide

Structural Information

Molecular Formula
C3H5NO2S
SMILES
C1C=CS(=O)(=O)N1
InChI
InChI=1S/C3H5NO2S/c5-7(6)3-1-2-4-7/h1,3-4H,2H2
InChIKey
OGOVCJUTZGZKOH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,2-thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

105
Patents

119.0041 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.01138 121.0
[M+Na]+ 141.99332 131.0
[M+NH4]+ 137.03792 130.5
[M+K]+ 157.96726 124.3
[M-H]- 117.99682 120.6
[M+Na-2H]- 139.97877 126.6
[M]+ 119.00355 122.6
[M]- 119.00465 122.6
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