CID 12937907

4-hydroxy-2,3-dihydrobenzo[b]thiophene 1,1-dioxide

Structural Information

Molecular Formula
C8H8O3S
SMILES
C1CS(=O)(=O)C2=CC=CC(=C21)O
InChI
InChI=1S/C8H8O3S/c9-7-2-1-3-8-6(7)4-5-12(8,10)11/h1-3,9H,4-5H2
InChIKey
UTKVSRQZHSFEAS-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,3-dihydro-1-benzothiophen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.01941 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.026686 133.0
[M+Na]+ 207.008628 144.2
[M-H]- 183.012134 137.3
[M+NH4]+ 202.053233 158.0
[M+K]+ 222.982568 141.0
[M+H-H2O]+ 167.016670 129.6
[M+HCOO]- 229.017611 151.5
[M+CH3COO]- 243.033261 173.6
[M+Na-2H]- 204.994076 138.2
[M]+ 184.01886142 135.5
[M]- 184.01995858 135.5
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