CID 108063

Naphthalene 1,2-oxide

Structural Information

Molecular Formula

C₁₀H₈O

SMILES

C1=CC=C2C3C(O3)C=CC2=C1

InChI

InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H

InChIKey

XQIJIALOJPIKGX-UHFFFAOYSA-N

Compound name

1a,7b-dihydronaphtho[1,2-b]oxirene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 406
Patents: 144.05751 Da
Monoisotopic Mass: 1.8
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]+	145.06479	128.0
[M+Na]+	167.04673	144.7
[M+NH4]+	162.09133	139.8
[M+K]+	183.02067	138.4
[M-H]-	143.05023	140.2
[M+Na-2H]-	165.03218	138.0
[M]+	144.05696	135.3
[M]-	144.05806	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe