CID 213008

24806-57-3

Structural Information

Molecular Formula

C₁₀H₁₃OS

SMILES

C[S+](C)CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H13OS/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/q+1

InChIKey

JTNDNBUJMQNEGL-UHFFFAOYSA-N

Compound name

dimethyl(phenacyl)sulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1355
Patents: 181.06871 Da
Monoisotopic Mass: 2.3
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]+	182.07599	134.9
[M+Na]+	204.05793	149.1
[M+NH4]+	199.10253	145.4
[M+K]+	220.03187	141.5
[M-H]-	180.06143	139.2
[M+Na-2H]-	202.04338	142.5
[M]+	181.06816	139.0
[M]-	181.06926	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe