CID 2737168

Ethyl 2,2-dibromo-2-fluoroacetate

Structural Information

Molecular Formula

C₄H₅Br₂FO₂

SMILES

CCOC(=O)C(F)(Br)Br

InChI

InChI=1S/C4H5Br2FO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey

COYRDMUQLSIAEX-UHFFFAOYSA-N

Compound name

ethyl 2,2-dibromo-2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 84
Patents: 261.86404 Da
Monoisotopic Mass: 2.0
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]+	262.87132	136.1
[M+Na]+	284.85326	147.3
[M-H]-	260.85676	139.5
[M+NH4]+	279.89786	156.3
[M+K]+	300.82720	132.5
[M+H-H2O]+	244.86130	143.9
[M+HCOO]-	306.86224	150.3
[M+CH3COO]-	320.87789	197.0
[M+Na-2H]-	282.83871	143.3
[M]+	261.86349	169.7
[M]-	261.86459	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe