CID 318235

1-(4-fluorophenyl)-2-phenylethan-1-one

Structural Information

Molecular Formula
C14H11FO
SMILES
C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H11FO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
YFYKGCQUWKAFLW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

214.07939 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08667 144.8
[M+Na]+ 237.06861 152.4
[M-H]- 213.07211 150.2
[M+NH4]+ 232.11321 163.0
[M+K]+ 253.04255 148.5
[M+H-H2O]+ 197.07665 136.8
[M+HCOO]- 259.07759 167.5
[M+CH3COO]- 273.09324 187.9
[M+Na-2H]- 235.05406 150.3
[M]+ 214.07884 143.2
[M]- 214.07994 143.2
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