CID 629101

6-chloro-2-(4-chlorophenyl)-4-quinolinecarboxylic acid

Structural Information

Molecular Formula
C16H9Cl2NO2
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O)Cl
InChI
InChI=1S/C16H9Cl2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
InChIKey
ICGJQZNTTPOWLN-UHFFFAOYSA-N
Compound name
6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

317.00104 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.00832 165.1
[M+Na]+ 339.99026 176.5
[M-H]- 315.99376 170.0
[M+NH4]+ 335.03486 180.1
[M+K]+ 355.96420 169.0
[M+H-H2O]+ 299.99830 158.4
[M+HCOO]- 361.99924 175.7
[M+CH3COO]- 376.01489 176.7
[M+Na-2H]- 337.97571 169.7
[M]+ 317.00049 169.1
[M]- 317.00159 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe