CID 51192

70848-82-7

Structural Information

Molecular Formula

C₁₂H₈O₂

SMILES

C1=CC(=C2C=CC=C(C2=C1)C=O)C=O

InChI

InChI=1S/C12H8O2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-8H

InChIKey

YAELIZGEEWGECG-UHFFFAOYSA-N

Compound name

naphthalene-1,5-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 299
Patents: 184.05243 Da
Monoisotopic Mass: 2.3
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]+	185.05971	134.7
[M+Na]+	207.04165	144.7
[M-H]-	183.04515	139.8
[M+NH4]+	202.08625	155.9
[M+K]+	223.01559	141.2
[M+H-H2O]+	167.04969	128.8
[M+HCOO]-	229.05063	159.1
[M+CH3COO]-	243.06628	182.4
[M+Na-2H]-	205.02710	143.3
[M]+	184.05188	136.7
[M]-	184.05298	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe