CID 32505

1,3-dithiolane, 2-(o-methoxyphenyl)-

Structural Information

Molecular Formula

C₁₀H₁₂OS₂

SMILES

COC1=CC=CC=C1C2SCCS2

InChI

InChI=1S/C10H12OS2/c1-11-9-5-3-2-4-8(9)10-12-6-7-13-10/h2-5,10H,6-7H2,1H3

InChIKey

JKPYCJKJEBIDIG-UHFFFAOYSA-N

Compound name

2-(2-methoxyphenyl)-1,3-dithiolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.03296 Da
Monoisotopic Mass: 2.9
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]+	213.04024	141.9
[M+Na]+	235.02218	153.4
[M+NH4]+	230.06678	152.7
[M+K]+	250.99612	144.2
[M-H]-	211.02568	146.7
[M+Na-2H]-	233.00763	148.4
[M]+	212.03241	145.9
[M]-	212.03351	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.