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

2
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 197.2
[M+Na]+ 421.12328 203.7
[M-H]- 397.12678 209.2
[M+NH4]+ 416.16788 207.4
[M+K]+ 437.09722 196.4
[M+H-H2O]+ 381.13132 187.1
[M+HCOO]- 443.13226 212.7
[M+CH3COO]- 457.14791 206.6
[M+Na-2H]- 419.10873 202.0
[M]+ 398.13351 197.6
[M]- 398.13461 197.6
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