CID 4342833

(4-methylphenyl)mesitylene sulfonate

Structural Information

Molecular Formula
C16H18O3S
SMILES
CC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C16H18O3S/c1-11-5-7-15(8-6-11)19-20(17,18)16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3
InChIKey
FWHYSYZWOFUAAH-UHFFFAOYSA-N
Compound name
(4-methylphenyl) 2,4,6-trimethylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

290.09766 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10494 166.3
[M+Na]+ 313.08688 181.1
[M+NH4]+ 308.13148 174.5
[M+K]+ 329.06082 172.1
[M-H]- 289.09038 170.2
[M+Na-2H]- 311.07233 174.2
[M]+ 290.09711 170.3
[M]- 290.09821 170.3
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

patents stripe