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

447
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 148.2
[M+Na]+ 273.98776 161.9
[M+NH4]+ 269.03236 155.1
[M+K]+ 289.96170 157.0
[M-H]- 249.99126 148.2
[M+Na-2H]- 271.97321 153.2
[M]+ 250.99799 150.3
[M]- 250.99909 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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