CID 79697

Di-2-naphthyl disulfide

Structural Information

Molecular Formula

C₂₀H₁₄S₂

SMILES

C1=CC=C2C=C(C=CC2=C1)SSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H14S2/c1-3-7-17-13-19(11-9-15(17)5-1)21-22-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H

InChIKey

SUPMWVVVBKKGEL-UHFFFAOYSA-N

Compound name

2-(naphthalen-2-yldisulfanyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 833
Patents: 318.05368 Da
Monoisotopic Mass: 6.5
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]+	319.06096	166.0
[M+Na]+	341.04290	176.7
[M-H]-	317.04640	174.2
[M+NH4]+	336.08750	183.4
[M+K]+	357.01684	168.3
[M+H-H2O]+	301.05094	158.9
[M+HCOO]-	363.05188	179.4
[M+CH3COO]-	377.06753	177.9
[M+Na-2H]-	339.02835	172.8
[M]+	318.05313	170.1
[M]-	318.05423	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe