CID 62029814

2-(benzyloxy)-1-(4-fluorophenyl)ethan-1-one

Structural Information

Molecular Formula

C₁₅H₁₃FO₂

SMILES

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

InChI

InChI=1S/C15H13FO2/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2

InChIKey

MQDGSYIJHBYOQX-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-2-phenylmethoxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.08995 Da
Monoisotopic Mass: 3.1
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]+	245.097226	153.0
[M+Na]+	267.079168	160.1
[M-H]-	243.082674	158.2
[M+NH4]+	262.123773	170.0
[M+K]+	283.053108	156.5
[M+H-H2O]+	227.087210	144.5
[M+HCOO]-	289.088151	175.7
[M+CH3COO]-	303.103801	192.9
[M+Na-2H]-	265.064616	158.0
[M]+	244.08940142	153.3
[M]-	244.09049858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe