CID 92471

56633-19-3

Structural Information

Molecular Formula
C10H6O5S
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)S(=O)(=O)O
InChI
InChI=1S/C10H6O5S/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8/h1-5H,(H,13,14,15)
InChIKey
IAGVANYWTGRDOU-UHFFFAOYSA-N
Compound name
1,4-dioxonaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

829
Patents

237.99359 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00087 146.7
[M+Na]+ 260.98281 158.8
[M+NH4]+ 256.02741 153.8
[M+K]+ 276.95675 152.5
[M-H]- 236.98631 146.7
[M+Na-2H]- 258.96826 151.2
[M]+ 237.99304 148.8
[M]- 237.99414 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe