CID 116232

Dimethyl(2-phenoxyethyl)sulfonium nitrate

Structural Information

Molecular Formula

C₁₀H₁₅OS

SMILES

C[S+](C)CCOC1=CC=CC=C1

InChI

InChI=1S/C10H15OS/c1-12(2)9-8-11-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/q+1

InChIKey

VEHIKDSILUQLKT-UHFFFAOYSA-N

Compound name

dimethyl(2-phenoxyethyl)sulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 183.08437 Da
Monoisotopic Mass: 2.5
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]+	184.09165	135.2
[M+Na]+	206.07359	149.7
[M+NH4]+	201.11819	146.2
[M+K]+	222.04753	141.4
[M-H]-	182.07709	140.0
[M+Na-2H]-	204.05904	143.4
[M]+	183.08382	139.6
[M]-	183.08492	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe