CID 4638541

4-biphenylyl mesitylenesulfonate

Structural Information

Molecular Formula
C21H20O3S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C21H20O3S/c1-15-13-16(2)21(17(3)14-15)25(22,23)24-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKey
KVZYSRBCNAUSSK-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) 2,4,6-trimethylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1133 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12058 182.4
[M+Na]+ 375.10252 199.1
[M+NH4]+ 370.14712 191.0
[M+K]+ 391.07646 188.6
[M-H]- 351.10602 189.0
[M+Na-2H]- 373.08797 193.4
[M]+ 352.11275 187.6
[M]- 352.11385 187.6
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

No patent data available for this compound.