CID 68463

1,6-dihydroxynaphthalene

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

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

InChI

InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H

InChIKey

FZZQNEVOYIYFPF-UHFFFAOYSA-N

Compound name

naphthalene-1,6-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 17565
Patents: 160.05243 Da
Monoisotopic Mass: 1.9
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]+	161.059706	129.0
[M+Na]+	183.041648	138.5
[M-H]-	159.045154	131.7
[M+NH4]+	178.086253	150.0
[M+K]+	199.015588	134.9
[M+H-H2O]+	143.049690	124.1
[M+HCOO]-	205.050631	150.7
[M+CH3COO]-	219.066281	172.9
[M+Na-2H]-	181.027096	137.8
[M]+	160.05188142	128.1
[M]-	160.05297858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe