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
2
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]+ 233.01145 144.3
[M+Na]+ 254.99339 153.3
[M+NH4]+ 250.03799 150.6
[M+K]+ 270.96733 151.9
[M-H]- 230.99689 145.2
[M+Na-2H]- 252.97884 145.5
[M]+ 232.00362 146.0
[M]- 232.00472 146.0
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.