CID 13756637

67811-05-6

Structural Information

Molecular Formula
C15H16O3S
SMILES
CC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C
InChI
InChI=1S/C15H16O3S/c1-11-5-8-14(9-6-11)18-19(16,17)15-10-12(2)4-7-13(15)3/h4-10H,1-3H3
InChIKey
LLAOWQZTWHIBBW-UHFFFAOYSA-N
Compound name
(4-methylphenyl) 2,5-dimethylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.082 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08928 161.7
[M+Na]+ 299.07122 176.3
[M+NH4]+ 294.11582 170.1
[M+K]+ 315.04516 167.4
[M-H]- 275.07472 165.6
[M+Na-2H]- 297.05667 170.1
[M]+ 276.08145 165.6
[M]- 276.08255 165.6
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.