CID 931

Naphthalene

Structural Information

Molecular Formula

C₁₀H₈

SMILES

C1=CC=C2C=CC=CC2=C1

InChI

InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

InChIKey

UFWIBTONFRDIAS-UHFFFAOYSA-N

Compound name

naphthalene

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 6365
References: 278469
Patents: 128.0626 Da
Monoisotopic Mass: 3.3
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]+	129.069876	121.5
[M+Na]+	151.051818	130.1
[M-H]-	127.055324	126.3
[M+NH4]+	146.096423	144.7
[M+K]+	167.025758	127.2
[M+H-H2O]+	111.059860	116.1
[M+HCOO]-	173.060801	145.9
[M+CH3COO]-	187.076451	136.5
[M+Na-2H]-	149.037266	132.8
[M]+	128.06205142	120.6
[M]-	128.06314858	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe