CID 3453077

Akos001026606

Structural Information

Molecular Formula
C15H9Cl2N3O
SMILES
C1=CC(=C(C(=C1)Cl)N=NC2=C3C=CC=NC3=C(C=C2)O)Cl
InChI
InChI=1S/C15H9Cl2N3O/c16-10-4-1-5-11(17)15(10)20-19-12-6-7-13(21)14-9(12)3-2-8-18-14/h1-8,21H
InChIKey
DFXAJSPGONQGBU-UHFFFAOYSA-N
Compound name
5-[(2,6-dichlorophenyl)diazenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.01227 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.01955 168.3
[M+Na]+ 340.00149 179.7
[M-H]- 316.00499 175.5
[M+NH4]+ 335.04609 184.1
[M+K]+ 355.97543 172.8
[M+H-H2O]+ 300.00953 160.4
[M+HCOO]- 362.01047 184.8
[M+CH3COO]- 376.02612 180.5
[M+Na-2H]- 337.98694 175.9
[M]+ 317.01172 173.3
[M]- 317.01282 173.3
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

No patent data available for this compound.