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]+ 257.97194 144.5
[M+Na]+ 279.95388 156.9
[M-H]- 255.95738 145.6
[M+NH4]+ 274.99848 161.8
[M+K]+ 295.92782 150.3
[M+H-H2O]+ 239.96192 140.6
[M+HCOO]- 301.96286 154.8
[M+CH3COO]- 315.97851 188.1
[M+Na-2H]- 277.93933 149.6
[M]+ 256.96411 147.6
[M]- 256.96521 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.