CID 4188965

216059-95-9

Structural Information

Molecular Formula

C₁₆H₁₁NO₂

SMILES

C1=CC2=C(C(=C1)C3=CC=C(C=C3)C(=O)O)N=CC=C2

InChI

InChI=1S/C16H11NO2/c18-16(19)13-8-6-11(7-9-13)14-5-1-3-12-4-2-10-17-15(12)14/h1-10H,(H,18,19)

InChIKey

ZHVGZDKFCXKGQH-UHFFFAOYSA-N

Compound name

4-quinolin-8-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 249.07898 Da
Monoisotopic Mass: 3.4
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]+	250.08626	154.5
[M+Na]+	272.06820	162.9
[M-H]-	248.07170	159.7
[M+NH4]+	267.11280	170.3
[M+K]+	288.04214	157.8
[M+H-H2O]+	232.07624	146.2
[M+HCOO]-	294.07718	174.7
[M+CH3COO]-	308.09283	166.5
[M+Na-2H]-	270.05365	161.7
[M]+	249.07843	153.9
[M]-	249.07953	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe