CID 67251

4-sulfophthalic anhydride

Structural Information

Molecular Formula
C8H4O6S
SMILES
C1=CC2=C(C=C1S(=O)(=O)O)C(=O)OC2=O
InChI
InChI=1S/C8H4O6S/c9-7-5-2-1-4(15(11,12)13)3-6(5)8(10)14-7/h1-3H,(H,11,12,13)
InChIKey
VJDQIBUPTBGINF-UHFFFAOYSA-N
Compound name
1,3-dioxo-2-benzofuran-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

227.97285 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98013 143.9
[M+Na]+ 250.96207 154.3
[M+NH4]+ 246.00667 150.2
[M+K]+ 266.93601 151.5
[M-H]- 226.96557 143.8
[M+Na-2H]- 248.94752 145.8
[M]+ 227.97230 145.5
[M]- 227.97340 145.5
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