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

1106
Patents

305.13638 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14366 168.0
[M+Na]+ 328.12560 186.7
[M+NH4]+ 323.17020 180.2
[M+K]+ 344.09954 174.4
[M-H]- 304.12910 178.5
[M+Na-2H]- 326.11105 182.3
[M]+ 305.13583 175.0
[M]- 305.13693 175.0
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