CID 3056953

73926-81-5

Structural Information

Molecular Formula

C₁₆H₁₉S

SMILES

CC[S+](CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H19S/c1-2-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3/q+1

InChIKey

FBPXJSFCGVVMED-UHFFFAOYSA-N

Compound name

dibenzyl(ethyl)sulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 243.12074 Da
Monoisotopic Mass: 4.2
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]+	244.12802	156.8
[M+Na]+	266.10996	162.5
[M-H]-	242.11346	163.2
[M+NH4]+	261.15456	174.2
[M+K]+	282.08390	152.4
[M+H-H2O]+	226.11800	152.1
[M+HCOO]-	288.11894	174.1
[M+CH3COO]-	302.13459	186.5
[M+Na-2H]-	264.09541	161.4
[M]+	243.12019	156.7
[M]-	243.12129	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe