CID 53426203

Dtxsid40699119

Structural Information

Molecular Formula

C₁₇H₁₂O₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2C3=CC=C(C=C3)C=O)O

InChI

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

InChIKey

ZBUQPRCZLKQOTQ-UHFFFAOYSA-N

Compound name

4-(2-hydroxynaphthalen-1-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.08372 Da
Monoisotopic Mass: 3.9
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	154.1
[M+Na]+	271.07294	163.4
[M-H]-	247.07644	161.0
[M+NH4]+	266.11754	171.7
[M+K]+	287.04688	157.8
[M+H-H2O]+	231.08098	146.7
[M+HCOO]-	293.08192	176.3
[M+CH3COO]-	307.09757	166.9
[M+Na-2H]-	269.05839	161.1
[M]+	248.08317	154.4
[M]-	248.08427	154.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.