CID 175241

Einecs 276-980-0

Structural Information

Molecular Formula
C15H11N3O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)N=NC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C15H11N3O4S/c19-14-7-6-13(12-5-2-8-16-15(12)14)18-17-10-3-1-4-11(9-10)23(20,21)22/h1-9,19H,(H,20,21,22)
InChIKey
RNUGXLPHHBGAEV-UHFFFAOYSA-N
Compound name
3-[(8-hydroxyquinolin-5-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

329.04703 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05431 170.4
[M+Na]+ 352.03625 183.6
[M+NH4]+ 347.08085 177.2
[M+K]+ 368.01019 175.8
[M-H]- 328.03975 174.3
[M+Na-2H]- 350.02170 179.0
[M]+ 329.04648 173.8
[M]- 329.04758 173.8
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.