CID 107091

37589-10-9

Structural Information

Molecular Formula
C8H8O6S
SMILES
C1OC2=C(O1)C=C(C=C2)C(O)S(=O)(=O)O
InChI
InChI=1S/C8H8O6S/c9-8(15(10,11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8-9H,4H2,(H,10,11,12)
InChIKey
BEKOKNMWWQTISL-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

232.00417 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.011446 142.6
[M+Na]+ 254.993388 151.2
[M-H]- 230.996894 146.4
[M+NH4]+ 250.037993 159.8
[M+K]+ 270.967328 151.5
[M+H-H2O]+ 215.001430 139.1
[M+HCOO]- 277.002371 156.2
[M+CH3COO]- 291.018021 178.7
[M+Na-2H]- 252.978836 149.0
[M]+ 232.00362142 146.8
[M]- 232.00471858 146.8
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

No patent data available for this compound.