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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15932 160.7
[M+Na]+ 294.14126 177.1
[M+NH4]+ 289.18586 172.2
[M+K]+ 310.11520 166.0
[M-H]- 270.14476 168.6
[M+Na-2H]- 292.12671 171.7
[M]+ 271.15149 166.5
[M]- 271.15259 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe