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 176.6
[M+Na]+ 365.06182 185.0
[M-H]- 341.06532 182.9
[M+NH4]+ 360.10642 191.1
[M+K]+ 381.03576 179.2
[M+H-H2O]+ 325.06986 168.0
[M+HCOO]- 387.07080 191.6
[M+CH3COO]- 401.08645 208.4
[M+Na-2H]- 363.04727 180.4
[M]+ 342.07205 179.3
[M]- 342.07315 179.3
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.