CID 2754230

Naphthalene-1(4h)-one

Structural Information

Molecular Formula

C₁₀H₈O

SMILES

C1C=CC(=O)C2=CC=CC=C21

InChI

InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-4,6-7H,5H2

InChIKey

NJEAJBBKRDXYPX-UHFFFAOYSA-N

Compound name

4H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 21
References: 1452
Patents: 144.05751 Da
Monoisotopic Mass: 2.2
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	126.5
[M+Na]+	167.04673	141.5
[M+NH4]+	162.09133	137.2
[M+K]+	183.02067	133.4
[M-H]-	143.05023	130.4
[M+Na-2H]-	165.03218	135.2
[M]+	144.05696	129.9
[M]-	144.05806	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe