CID 165939350

1-bromo-2-[2-(2-fluoroethoxy)ethoxy]ethane

Structural Information

Molecular Formula

C₆H₁₂BrFO₂

SMILES

C(COCCBr)OCCF

InChI

InChI=1S/C6H12BrFO2/c7-1-3-9-5-6-10-4-2-8/h1-6H2

InChIKey

MWUYQSFLAKMUHT-UHFFFAOYSA-N

Compound name

1-(2-bromoethoxy)-2-(2-fluoroethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.00047 Da
Monoisotopic Mass: 1.0
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]+	215.007746	138.6
[M+Na]+	236.989688	149.2
[M-H]-	212.993194	140.1
[M+NH4]+	232.034293	160.9
[M+K]+	252.963628	139.7
[M+H-H2O]+	196.997730	138.2
[M+HCOO]-	258.998671	159.3
[M+CH3COO]-	273.014321	184.4
[M+Na-2H]-	234.975136	146.0
[M]+	213.99992142	159.7
[M]-	214.00101858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe