CID 4023555

5,8-dichloro-4-hydroxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H5Cl2NO3
SMILES
C1=CC(=C2C(=C1Cl)C(=O)C(=CN2)C(=O)O)Cl
InChI
InChI=1S/C10H5Cl2NO3/c11-5-1-2-6(12)8-7(5)9(14)4(3-13-8)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey
HHFSLXPKUJQTQR-UHFFFAOYSA-N
Compound name
5,8-dichloro-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.96466 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.971936 144.5
[M+Na]+ 279.953878 156.9
[M-H]- 255.957384 145.6
[M+NH4]+ 274.998483 161.8
[M+K]+ 295.927818 150.3
[M+H-H2O]+ 239.961920 140.6
[M+HCOO]- 301.962861 154.8
[M+CH3COO]- 315.978511 188.1
[M+Na-2H]- 277.939326 149.6
[M]+ 256.96411142 147.6
[M]- 256.96520858 147.6
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.