CID 4417530

63472-09-3

Structural Information

Molecular Formula
C22H20O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H20O3S/c1-17-7-13-21(14-8-17)26(24,25)16-15-22(23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKey
KGMQCFDFHNIKKK-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1133 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12058 186.3
[M+Na]+ 387.10252 193.4
[M-H]- 363.10602 195.9
[M+NH4]+ 382.14712 198.6
[M+K]+ 403.07646 187.3
[M+H-H2O]+ 347.11056 177.4
[M+HCOO]- 409.11150 202.9
[M+CH3COO]- 423.12715 212.9
[M+Na-2H]- 385.08797 188.3
[M]+ 364.11275 189.4
[M]- 364.11385 189.4
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.