CID 4651719

P-tolyl triphenylmethyl sulfone

Structural Information

Molecular Formula
C26H22O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H22O2S/c1-21-17-19-25(20-18-21)29(27,28)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3
InChIKey
DGPUSUIIDRLHAV-UHFFFAOYSA-N
Compound name
1-methyl-4-tritylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13406 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14134 195.8
[M+Na]+ 421.12328 213.3
[M+NH4]+ 416.16788 204.9
[M+K]+ 437.09722 201.3
[M-H]- 397.12678 204.6
[M+Na-2H]- 419.10873 210.6
[M]+ 398.13351 201.9
[M]- 398.13461 201.9
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.