CID 139595901

Thieno-saccharine

Structural Information

Molecular Formula
C6H5NO3S2
SMILES
CC1=C2C(=CS1)C(=O)NS2(=O)=O
InChI
InChI=1S/C6H5NO3S2/c1-3-5-4(2-11-3)6(8)7-12(5,9)10/h2H,1H3,(H,7,8)
InChIKey
LHUVTABLXDEUNO-UHFFFAOYSA-N
Compound name
6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

202.97108 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.978356 137.2
[M+Na]+ 225.960298 150.4
[M-H]- 201.963804 140.5
[M+NH4]+ 221.004903 162.2
[M+K]+ 241.934238 146.5
[M+H-H2O]+ 185.968340 135.0
[M+HCOO]- 247.969281 150.4
[M+CH3COO]- 261.984931 176.1
[M+Na-2H]- 223.945746 138.6
[M]+ 202.97053142 141.4
[M]- 202.97162858 141.4
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

No patent data available for this compound.