CID 19809015

7-hydroxy-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

Structural Information

Molecular Formula
C7H5NO4S
SMILES
C1=CC2=C(C(=C1)O)S(=O)(=O)NC2=O
InChI
InChI=1S/C7H5NO4S/c9-5-3-1-2-4-6(5)13(11,12)8-7(4)10/h1-3,9H,(H,8,10)
InChIKey
YKILLWWVOIHPDR-UHFFFAOYSA-N
Compound name
7-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

489
Patents

198.99393 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.001206 134.7
[M+Na]+ 221.983148 146.8
[M-H]- 197.986654 136.6
[M+NH4]+ 217.027753 157.1
[M+K]+ 237.957088 142.8
[M+H-H2O]+ 181.991190 131.1
[M+HCOO]- 243.992131 151.0
[M+CH3COO]- 258.007781 173.4
[M+Na-2H]- 219.968596 139.5
[M]+ 198.99338142 136.7
[M]- 198.99447858 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.