CID 21304749

43059-32-1

Structural Information

Molecular Formula
C7H7NO3S
SMILES
C1C2=C(C=CC(=C2)O)S(=O)(=O)N1
InChI
InChI=1S/C7H7NO3S/c9-6-1-2-7-5(3-6)4-8-12(7,10)11/h1-3,8-9H,4H2
InChIKey
CVQQCESDWCLLPM-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,3-dihydro-1,2-benzothiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

185.01466 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.02194 133.0
[M+Na]+ 208.00388 144.3
[M-H]- 184.00738 134.6
[M+NH4]+ 203.04848 156.0
[M+K]+ 223.97782 140.3
[M+H-H2O]+ 168.01192 129.2
[M+HCOO]- 230.01286 149.1
[M+CH3COO]- 244.02851 170.8
[M+Na-2H]- 205.98933 138.2
[M]+ 185.01411 133.9
[M]- 185.01521 133.9
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

patents stripe