CID 13200052

1-(4-fluorophenyl)-3-phenylprop-2-yn-1-one

Structural Information

Molecular Formula
C15H9FO
SMILES
C1=CC=C(C=C1)C#CC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H9FO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H
InChIKey
KGXLYUSMGFJWNJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-phenylprop-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

224.06374 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.071016 152.2
[M+Na]+ 247.052958 162.7
[M-H]- 223.056464 155.3
[M+NH4]+ 242.097563 168.0
[M+K]+ 263.026898 155.4
[M+H-H2O]+ 207.061000 138.4
[M+HCOO]- 269.061941 168.9
[M+CH3COO]- 283.077591 195.4
[M+Na-2H]- 245.038406 155.8
[M]+ 224.06319142 144.8
[M]- 224.06428858 144.8
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

patents stripe