CID 6451918

1-(2-fluoro[1,1'-biphenyl]-4-yl)ethan-1-one

Structural Information

Molecular Formula
C14H11FO
SMILES
CC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)F
InChI
InChI=1S/C14H11FO/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
ZLKQQDFLPVWFDT-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
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 144.1
[M+Na]+ 237.06861 152.7
[M-H]- 213.07211 150.0
[M+NH4]+ 232.11321 162.7
[M+K]+ 253.04255 148.8
[M+H-H2O]+ 197.07665 136.4
[M+HCOO]- 259.07759 166.9
[M+CH3COO]- 273.09324 189.0
[M+Na-2H]- 235.05406 149.0
[M]+ 214.07884 143.0
[M]- 214.07994 143.0
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