CID 3829897

Tribenzylmethanethiol

Structural Information

Molecular Formula
C22H22S
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(CC3=CC=CC=C3)S
InChI
InChI=1S/C22H22S/c23-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,23H,16-18H2
InChIKey
HRNYKJZHPLCDLY-UHFFFAOYSA-N
Compound name
2-benzyl-1,3-diphenylpropane-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.14423 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15151 176.6
[M+Na]+ 341.13345 182.2
[M-H]- 317.13695 185.3
[M+NH4]+ 336.17805 190.8
[M+K]+ 357.10739 175.3
[M+H-H2O]+ 301.14149 167.8
[M+HCOO]- 363.14243 193.2
[M+CH3COO]- 377.15808 186.9
[M+Na-2H]- 339.11890 180.6
[M]+ 318.14368 177.3
[M]- 318.14478 177.3
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

No patent data available for this compound.