CID 680106

108409-60-5

Structural Information

Molecular Formula
C19H16O3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16O3S/c1-22-17-9-13-19(14-10-17)23(20,21)18-11-7-16(8-12-18)15-5-3-2-4-6-15/h2-14H,1H3
InChIKey
WTWXIOPOGRTSCU-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)sulfonyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.082 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08928 174.4
[M+Na]+ 347.07122 183.0
[M-H]- 323.07472 184.6
[M+NH4]+ 342.11582 188.6
[M+K]+ 363.04516 177.6
[M+H-H2O]+ 307.07926 165.9
[M+HCOO]- 369.08020 192.9
[M+CH3COO]- 383.09585 204.0
[M+Na-2H]- 345.05667 178.8
[M]+ 324.08145 177.8
[M]- 324.08255 177.8
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.