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]+ 185.02669 133.0
[M+Na]+ 207.00863 144.2
[M-H]- 183.01213 137.3
[M+NH4]+ 202.05323 158.0
[M+K]+ 222.98257 141.0
[M+H-H2O]+ 167.01667 129.6
[M+HCOO]- 229.01761 151.5
[M+CH3COO]- 243.03326 173.6
[M+Na-2H]- 204.99408 138.2
[M]+ 184.01886 135.5
[M]- 184.01996 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