CID 21940939

Methyl 2-methylphenyl disulfide

Structural Information

Molecular Formula

C₈H₁₀S₂

SMILES

CC1=CC=CC=C1SSC

InChI

InChI=1S/C8H10S2/c1-7-5-3-4-6-8(7)10-9-2/h3-6H,1-2H3

InChIKey

FFCTVZYBWOPLSU-UHFFFAOYSA-N

Compound name

1-methyl-2-(methyldisulfanyl)benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 123
Patents: 170.0224 Da
Monoisotopic Mass: 2.8
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]+	171.02968	129.4
[M+Na]+	193.01162	138.5
[M-H]-	169.01512	133.4
[M+NH4]+	188.05622	150.9
[M+K]+	208.98556	134.5
[M+H-H2O]+	153.01966	124.1
[M+HCOO]-	215.02060	143.1
[M+CH3COO]-	229.03625	178.5
[M+Na-2H]-	190.99707	131.5
[M]+	170.02185	132.2
[M]-	170.02295	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe