CID 10058700

2-methylthieno[2,3-d]isothiazol-3(2h)-one 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]+ 203.978356 136.8
[M+Na]+ 225.960298 150.5
[M-H]- 201.963804 141.6
[M+NH4]+ 221.004903 162.6
[M+K]+ 241.934238 147.6
[M+H-H2O]+ 185.968340 134.4
[M+HCOO]- 247.969281 151.6
[M+CH3COO]- 261.984931 178.6
[M+Na-2H]- 223.945746 138.5
[M]+ 202.97053142 142.9
[M]- 202.97162858 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.