CID 5075769

P-tolyl [2-(trimethylsilyl)ethynyl] sulfone

Structural Information

Molecular Formula

C₁₂H₁₆O₂SSi

SMILES

CC1=CC=C(C=C1)S(=O)(=O)C#C[Si](C)(C)C

InChI

InChI=1S/C12H16O2SSi/c1-11-5-7-12(8-6-11)15(13,14)9-10-16(2,3)4/h5-8H,1-4H3

InChIKey

MMUNNGUGQXEUBR-UHFFFAOYSA-N

Compound name

trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 252.06403 Da
Monoisotopic Mass: None
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]+	253.071306	164.8
[M+Na]+	275.053248	175.5
[M-H]-	251.056754	168.0
[M+NH4]+	270.097853	181.6
[M+K]+	291.027188	171.3
[M+H-H2O]+	235.061290	153.6
[M+HCOO]-	297.062231	175.4
[M+CH3COO]-	311.077881	196.0
[M+Na-2H]-	273.038696	166.7
[M]+	252.06348142	162.6
[M]-	252.06457858	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe