CID 21819211

25413-20-1

Structural Information

Molecular Formula
C10H5Cl2NO2
SMILES
C1=CC2=C(C(=CC(=C2N=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H5Cl2NO2/c11-6-4-7(12)9-5(2-1-3-13-9)8(6)10(14)15/h1-4H,(H,14,15)
InChIKey
VONPXNBYHCUWDQ-UHFFFAOYSA-N
Compound name
6,8-dichloroquinoline-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.96973 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.977006 142.5
[M+Na]+ 263.958948 154.3
[M-H]- 239.962454 144.5
[M+NH4]+ 259.003553 160.9
[M+K]+ 279.932888 148.4
[M+H-H2O]+ 223.966990 138.0
[M+HCOO]- 285.967931 153.9
[M+CH3COO]- 299.983581 187.9
[M+Na-2H]- 261.944396 148.7
[M]+ 240.96918142 146.2
[M]- 240.97027858 146.2
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

No patent data available for this compound.