CID 5061271

75910-27-9

Structural Information

Molecular Formula
C20H18O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C20H18O3S/c1-15-6-10-19(11-7-15)24(22,23)13-12-20(21)18-9-8-16-4-2-3-5-17(16)14-18/h2-11,14H,12-13H2,1H3
InChIKey
WPKIFHMDEUKEEP-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)sulfonyl-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09766 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10494 178.1
[M+Na]+ 361.08688 186.0
[M-H]- 337.09038 185.6
[M+NH4]+ 356.13148 192.9
[M+K]+ 377.06082 180.5
[M+H-H2O]+ 321.09492 170.3
[M+HCOO]- 383.09586 193.8
[M+CH3COO]- 397.11151 208.7
[M+Na-2H]- 359.07233 182.0
[M]+ 338.09711 182.1
[M]- 338.09821 182.1
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.