CID 79357674

Ethyl 2-(3-bromophenoxy)-2-fluoroacetate

Structural Information

Molecular Formula

C₁₀H₁₀BrFO₃

SMILES

CCOC(=O)C(OC1=CC(=CC=C1)Br)F

InChI

InChI=1S/C10H10BrFO3/c1-2-14-10(13)9(12)15-8-5-3-4-7(11)6-8/h3-6,9H,2H2,1H3

InChIKey

YWPCFTFNLKFTFI-UHFFFAOYSA-N

Compound name

ethyl 2-(3-bromophenoxy)-2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.97974 Da
Monoisotopic Mass: 3.3
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]+	276.987016	151.4
[M+Na]+	298.968958	162.0
[M-H]-	274.972464	156.3
[M+NH4]+	294.013563	171.1
[M+K]+	314.942898	152.1
[M+H-H2O]+	258.977000	150.2
[M+HCOO]-	320.977941	170.9
[M+CH3COO]-	334.993591	194.1
[M+Na-2H]-	296.954406	156.1
[M]+	275.97919142	171.5
[M]-	275.98028858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.