CID 5225625

477334-53-5

Structural Information

Molecular Formula
C16H15FO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H15FO3S/c1-12-2-8-15(9-3-12)21(19,20)11-10-16(18)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3
InChIKey
SQNZHMVKRGDDNK-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

306.0726 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07988 169.4
[M+Na]+ 329.06182 181.9
[M+NH4]+ 324.10642 176.2
[M+K]+ 345.03576 173.5
[M-H]- 305.06532 171.0
[M+Na-2H]- 327.04727 176.4
[M]+ 306.07205 172.1
[M]- 306.07315 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.