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

literature stripe

Patent stripe

patents stripe