CID 10058700

Thieno[2,3-d]isothiazol-3(2h)-one, 2-methyl-, 1,1-dioxide

Structural Information

Molecular Formula
C6H5NO3S2
SMILES
CN1C(=O)C2=C(S1(=O)=O)C=CS2
InChI
InChI=1S/C6H5NO3S2/c1-7-6(8)5-4(2-3-11-5)12(7,9)10/h2-3H,1H3
InChIKey
WUQLGNGMRNSJNR-UHFFFAOYSA-N
Compound name
2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.97108 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.97836 136.8
[M+Na]+ 225.96030 150.5
[M-H]- 201.96380 141.6
[M+NH4]+ 221.00490 162.6
[M+K]+ 241.93424 147.6
[M+H-H2O]+ 185.96834 134.4
[M+HCOO]- 247.96928 151.6
[M+CH3COO]- 261.98493 178.6
[M+Na-2H]- 223.94575 138.5
[M]+ 202.97053 142.9
[M]- 202.97163 142.9
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

No patent data available for this compound.