CID 4069714

893-69-6

Structural Information

Molecular Formula

C₁₄H₁₅S

SMILES

CC[S+](C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H15S/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3/q+1

InChIKey

LFUUKAZOASZIBN-UHFFFAOYSA-N

Compound name

ethyl(diphenyl)sulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 312
Patents: 215.08945 Da
Monoisotopic Mass: 4.4
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]+	216.09673	147.5
[M+Na]+	238.07867	154.1
[M-H]-	214.08217	154.4
[M+NH4]+	233.12327	166.1
[M+K]+	254.05261	144.5
[M+H-H2O]+	198.08671	143.3
[M+HCOO]-	260.08765	165.5
[M+CH3COO]-	274.10330	180.5
[M+Na-2H]-	236.06412	153.2
[M]+	215.08890	146.8
[M]-	215.09000	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe