CID 81322217

Ethyl 2-(3-bromo-5-fluorophenoxy)acetate

Structural Information

Molecular Formula

C₁₀H₁₀BrFO₃

SMILES

CCOC(=O)COC1=CC(=CC(=C1)Br)F

InChI

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

InChIKey

KBDFIQLFFDIVIV-UHFFFAOYSA-N

Compound name

ethyl 2-(3-bromo-5-fluorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.97974 Da
Monoisotopic Mass: 3.0
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	150.0
[M+Na]+	298.968958	161.8
[M-H]-	274.972464	155.3
[M+NH4]+	294.013563	170.1
[M+K]+	314.942898	151.5
[M+H-H2O]+	258.977000	149.0
[M+HCOO]-	320.977941	170.5
[M+CH3COO]-	334.993591	194.4
[M+Na-2H]-	296.954406	155.4
[M]+	275.97919142	171.1
[M]-	275.98028858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.