CID 308815

51726-83-1

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C2C(=C1)C=CC3=C2NC=C(C3=O)C(=O)O
InChI
InChI=1S/C14H9NO3/c16-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKey
QGOKEDVMXJBTAR-UHFFFAOYSA-N
Compound name
4-oxo-1H-benzo[h]quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

239.05824 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.065516 148.0
[M+Na]+ 262.047458 158.9
[M-H]- 238.050964 150.5
[M+NH4]+ 257.092063 165.2
[M+K]+ 278.021398 153.4
[M+H-H2O]+ 222.055500 141.1
[M+HCOO]- 284.056441 167.5
[M+CH3COO]- 298.072091 160.6
[M+Na-2H]- 260.032906 156.8
[M]+ 239.05769142 148.9
[M]- 239.05878858 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