CID 459778

4-hydroxybenzo[h]quinoline-2-carboxylic acid

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C2C(=C1)C=CC3=C2NC(=CC3=O)C(=O)O
InChI
InChI=1S/C14H9NO3/c16-12-7-11(14(17)18)15-13-9-4-2-1-3-8(9)5-6-10(12)13/h1-7H,(H,15,16)(H,17,18)
InChIKey
GJLHLPQWVBWHJS-UHFFFAOYSA-N
Compound name
4-oxo-1H-benzo[h]quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.05824 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 148.0
[M+Na]+ 262.04746 158.9
[M-H]- 238.05096 150.5
[M+NH4]+ 257.09206 165.2
[M+K]+ 278.02140 153.4
[M+H-H2O]+ 222.05550 141.1
[M+HCOO]- 284.05644 167.5
[M+CH3COO]- 298.07209 160.6
[M+Na-2H]- 260.03291 156.8
[M]+ 239.05769 148.9
[M]- 239.05879 148.9
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