CID 46737608

4'-ethoxy-3',5'-difluoroacetophenone

Structural Information

Molecular Formula

C₁₀H₁₀F₂O₂

SMILES

CCOC1=C(C=C(C=C1F)C(=O)C)F

InChI

InChI=1S/C10H10F2O2/c1-3-14-10-8(11)4-7(6(2)13)5-9(10)12/h4-5H,3H2,1-2H3

InChIKey

ZKFNHJQYENLQNK-UHFFFAOYSA-N

Compound name

1-(4-ethoxy-3,5-difluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.06488 Da
Monoisotopic Mass: 2.1
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]+	201.072156	137.0
[M+Na]+	223.054098	146.9
[M-H]-	199.057604	138.9
[M+NH4]+	218.098703	156.9
[M+K]+	239.028038	144.9
[M+H-H2O]+	183.062140	129.9
[M+HCOO]-	245.063081	158.8
[M+CH3COO]-	259.078731	187.3
[M+Na-2H]-	221.039546	140.4
[M]+	200.06433142	137.7
[M]-	200.06542858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.