CID 2737276

72293-96-0

Structural Information

Molecular Formula

C₁₅H₁₃FO₂

SMILES

CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)F

InChI

InChI=1S/C15H13FO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3

InChIKey

MQJDMMIBGFVIDR-UHFFFAOYSA-N

Compound name

1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 79
Patents: 244.08995 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.09723	155.3
[M+Na]+	267.07917	169.5
[M+NH4]+	262.12377	163.4
[M+K]+	283.05311	161.6
[M-H]-	243.08267	158.4
[M+Na-2H]-	265.06462	164.0
[M]+	244.08940	158.2
[M]-	244.09050	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe