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 170.5
[M+Na]+ 352.03625 179.7
[M-H]- 328.03975 177.4
[M+NH4]+ 347.08085 183.7
[M+K]+ 368.01019 174.9
[M+H-H2O]+ 312.04429 162.0
[M+HCOO]- 374.04523 189.5
[M+CH3COO]- 388.06088 208.7
[M+Na-2H]- 350.02170 179.1
[M]+ 329.04648 174.1
[M]- 329.04758 174.1
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

No patent data available for this compound.