CID 3056955

73926-82-6

Structural Information

Molecular Formula

C₂₁H₂₁S

SMILES

C1=CC=C(C=C1)C[S+](CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21S/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2/q+1

InChIKey

VRAWXSCCKYEDOG-UHFFFAOYSA-N

Compound name

tribenzylsulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1305
Patents: 305.13638 Da
Monoisotopic Mass: 5.4
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]+	306.14366	175.1
[M+Na]+	328.12560	180.0
[M-H]-	304.12910	184.0
[M+NH4]+	323.17020	189.3
[M+K]+	344.09954	168.0
[M+H-H2O]+	288.13364	168.8
[M+HCOO]-	350.13458	192.1
[M+CH3COO]-	364.15023	197.3
[M+Na-2H]-	326.11105	179.5
[M]+	305.13583	174.0
[M]-	305.13693	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe