CID 2760152

106359-70-0

Structural Information

Molecular Formula

C₁₇H₁₂O₂

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H12O2/c18-17(19)14-8-5-13(6-9-14)16-10-7-12-3-1-2-4-15(12)11-16/h1-11H,(H,18,19)

InChIKey

KICDLSXFZOBMEW-UHFFFAOYSA-N

Compound name

4-naphthalen-2-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 248.08372 Da
Monoisotopic Mass: 4.3
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]+	249.09100	154.3
[M+Na]+	271.07294	162.3
[M-H]-	247.07644	160.8
[M+NH4]+	266.11754	171.5
[M+K]+	287.04688	157.2
[M+H-H2O]+	231.08098	146.8
[M+HCOO]-	293.08192	175.5
[M+CH3COO]-	307.09757	166.6
[M+Na-2H]-	269.05839	160.8
[M]+	248.08317	153.5
[M]-	248.08427	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe