CID 131463780

1-(4-bromo-2-ethoxy-6-fluorophenyl)ethan-1-one

Structural Information

Molecular Formula

C₁₀H₁₀BrFO₂

SMILES

CCOC1=C(C(=CC(=C1)Br)F)C(=O)C

InChI

InChI=1S/C10H10BrFO2/c1-3-14-9-5-7(11)4-8(12)10(9)6(2)13/h4-5H,3H2,1-2H3

InChIKey

BFIAVGGIJACPOP-UHFFFAOYSA-N

Compound name

1-(4-bromo-2-ethoxy-6-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 259.98483 Da
Monoisotopic Mass: 2.7
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]+	260.992106	146.2
[M+Na]+	282.974048	158.9
[M-H]-	258.977554	151.8
[M+NH4]+	278.018653	167.2
[M+K]+	298.947988	148.1
[M+H-H2O]+	242.982090	145.6
[M+HCOO]-	304.983031	166.4
[M+CH3COO]-	318.998681	194.2
[M+Na-2H]-	280.959496	151.0
[M]+	259.98428142	166.4
[M]-	259.98537858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe