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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.06552	149.1
[M+Na]+	262.04746	165.1
[M+NH4]+	257.09206	157.3
[M+K]+	278.02140	158.1
[M-H]-	238.05096	151.1
[M+Na-2H]-	260.03291	156.2
[M]+	239.05769	152.0
[M]-	239.05879	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe