CID 20094335

160969-00-6

Structural Information

Molecular Formula

C₁₀H₁₀BrF₃O₂

SMILES

C1=CC=C(C(=C1)OCCBr)OCC(F)(F)F

InChI

InChI=1S/C10H10BrF3O2/c11-5-6-15-8-3-1-2-4-9(8)16-7-10(12,13)14/h1-4H,5-7H2

InChIKey

BPRQLNDSURZFSX-UHFFFAOYSA-N

Compound name

1-(2-bromoethoxy)-2-(2,2,2-trifluoroethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 297.98163 Da
Monoisotopic Mass: 3.6
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]+	298.98891	158.5
[M+Na]+	320.97085	169.9
[M-H]-	296.97435	160.9
[M+NH4]+	316.01545	177.5
[M+K]+	336.94479	158.7
[M+H-H2O]+	280.97889	156.0
[M+HCOO]-	342.97983	175.9
[M+CH3COO]-	356.99548	197.0
[M+Na-2H]-	318.95630	164.6
[M]+	297.98108	176.2
[M]-	297.98218	176.2

Literature stripe

literature stripe

Patent stripe

patents stripe