CID 71856

Cuproxoline

Structural Information

Molecular Formula
C9H7NO7S2
SMILES
C1=CC2=C(C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)O)N=C1
InChI
InChI=1S/C9H7NO7S2/c11-9-7(19(15,16)17)4-6(18(12,13)14)5-2-1-3-10-8(5)9/h1-4,11H,(H,12,13,14)(H,15,16,17)
InChIKey
XSULSEYNDUGHLM-UHFFFAOYSA-N
Compound name
8-hydroxyquinoline-5,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

641
Patents

304.9664 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.97368 160.2
[M+Na]+ 327.95562 169.7
[M-H]- 303.95912 159.6
[M+NH4]+ 323.00022 173.0
[M+K]+ 343.92956 164.6
[M+H-H2O]+ 287.96366 155.3
[M+HCOO]- 349.96460 167.0
[M+CH3COO]- 363.98025 189.5
[M+Na-2H]- 325.94107 167.1
[M]+ 304.96585 164.1
[M]- 304.96695 164.1
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