CID 3354193

477334-50-2

Structural Information

Molecular Formula
C19H15FO3S
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H15FO3S/c20-17-7-9-18(10-8-17)24(22,23)12-11-19(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2
InChIKey
XPPZROKRJUKLHM-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)sulfonyl-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0726 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07988 176.7
[M+Na]+ 365.06182 190.5
[M+NH4]+ 360.10642 184.3
[M+K]+ 381.03576 180.9
[M-H]- 341.06532 179.4
[M+Na-2H]- 363.04727 184.7
[M]+ 342.07205 180.0
[M]- 342.07315 180.0
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.