CID 135496407

Chembl39725

Structural Information

Molecular Formula
C17H11Cl2NO3
SMILES
C1=CC(=C(C=C1/C=C/C2=NC3=C(C=C2)C(=CC(=C3O)Cl)Cl)O)O
InChI
InChI=1S/C17H11Cl2NO3/c18-12-8-13(19)17(23)16-11(12)5-4-10(20-16)3-1-9-2-6-14(21)15(22)7-9/h1-8,21-23H/b3-1+
InChIKey
GKVMHOHBRUCKOQ-HNQUOIGGSA-N
Compound name
4-[(E)-2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

347.0116 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.01888 173.5
[M+Na]+ 370.00082 185.5
[M-H]- 346.00432 176.3
[M+NH4]+ 365.04542 186.6
[M+K]+ 385.97476 176.7
[M+H-H2O]+ 330.00886 167.6
[M+HCOO]- 392.00980 182.0
[M+CH3COO]- 406.02545 184.0
[M+Na-2H]- 367.98627 176.5
[M]+ 347.01105 177.0
[M]- 347.01215 177.0
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.