CID 5367157

22966-12-7

Structural Information

Molecular Formula
C15H11FO
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)F
InChI
InChI=1S/C15H11FO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H/b10-9+
InChIKey
HMPMIRDTAXRDAQ-MDZDMXLPSA-N
Compound name
(E)-3-(3-fluorophenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

226.07939 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08667 148.4
[M+Na]+ 249.06861 156.0
[M-H]- 225.07211 153.7
[M+NH4]+ 244.11321 166.2
[M+K]+ 265.04255 151.2
[M+H-H2O]+ 209.07665 140.3
[M+HCOO]- 271.07759 171.1
[M+CH3COO]- 285.09324 189.4
[M+Na-2H]- 247.05406 153.4
[M]+ 226.07884 146.4
[M]- 226.07994 146.4
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