CID 735362

5,7-dichloro-4-hydroxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H5Cl2NO3
SMILES
C1=C(C=C(C2=C1NC=C(C2=O)C(=O)O)Cl)Cl
InChI
InChI=1S/C10H5Cl2NO3/c11-4-1-6(12)8-7(2-4)13-3-5(9(8)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey
DEBOCPZCSPMQBS-UHFFFAOYSA-N
Compound name
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

47
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

patents stripe