CID 39247325

1-(2-fluorophenyl)-3-phenylpropan-2-one

Structural Information

Molecular Formula
C15H13FO
SMILES
C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2F
InChI
InChI=1S/C15H13FO/c16-15-9-5-4-8-13(15)11-14(17)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
VVOSMBWUOVNUMM-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-3-phenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09505 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10233 149.5
[M+Na]+ 251.08427 156.7
[M-H]- 227.08777 154.7
[M+NH4]+ 246.12887 167.2
[M+K]+ 267.05821 152.5
[M+H-H2O]+ 211.09231 141.3
[M+HCOO]- 273.09325 171.9
[M+CH3COO]- 287.10890 190.9
[M+Na-2H]- 249.06972 154.5
[M]+ 228.09450 148.3
[M]- 228.09560 148.3
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.