CID 13309794

7-chloroquinoline-3,8-dicarboxylic acid

Structural Information

Molecular Formula
C11H6ClNO4
SMILES
C1=CC(=C(C2=NC=C(C=C21)C(=O)O)C(=O)O)Cl
InChI
InChI=1S/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)
InChIKey
ZYIDIAPHYHJMCU-UHFFFAOYSA-N
Compound name
7-chloroquinoline-3,8-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

453
Patents

250.99854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00582 146.4
[M+Na]+ 273.98776 156.7
[M-H]- 249.99126 147.8
[M+NH4]+ 269.03236 162.9
[M+K]+ 289.96170 152.2
[M+H-H2O]+ 233.99580 141.2
[M+HCOO]- 295.99674 160.6
[M+CH3COO]- 310.01239 188.3
[M+Na-2H]- 271.97321 151.3
[M]+ 250.99799 149.2
[M]- 250.99909 149.2
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.