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

9
Patents

185.01466 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.021936 133.0
[M+Na]+ 208.003878 144.3
[M-H]- 184.007384 134.6
[M+NH4]+ 203.048483 156.0
[M+K]+ 223.977818 140.3
[M+H-H2O]+ 168.011920 129.2
[M+HCOO]- 230.012861 149.1
[M+CH3COO]- 244.028511 170.8
[M+Na-2H]- 205.989326 138.2
[M]+ 185.01411142 133.9
[M]- 185.01520858 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