CID 3056951

73926-80-4

Structural Information

Molecular Formula

C₁₈H₂₃S

SMILES

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

InChI

InChI=1S/C18H23S/c1-2-3-14-19(15-17-10-6-4-7-11-17)16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3/q+1

InChIKey

CJTORWUPDZSTPB-UHFFFAOYSA-N

Compound name

dibenzyl(butyl)sulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.15204 Da
Monoisotopic Mass: 5.1
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]+	272.15932	165.9
[M+Na]+	294.14126	170.8
[M-H]-	270.14476	172.0
[M+NH4]+	289.18586	182.2
[M+K]+	310.11520	160.1
[M+H-H2O]+	254.14930	160.8
[M+HCOO]-	316.15024	182.6
[M+CH3COO]-	330.16589	192.4
[M+Na-2H]-	292.12671	169.5
[M]+	271.15149	166.6
[M]-	271.15259	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe