CID 99769831

1823567-21-0

Structural Information

Molecular Formula

C₁₀H₉BrF₂O₂

SMILES

C1=CC=C(C(=C1)C(=O)CBr)OCC(F)F

InChI

InChI=1S/C10H9BrF2O2/c11-5-8(14)7-3-1-2-4-9(7)15-6-10(12)13/h1-4,10H,5-6H2

InChIKey

ZKGUYPRXFLGXIR-UHFFFAOYSA-N

Compound name

2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.9754 Da
Monoisotopic Mass: 3.2
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]+	278.982676	152.6
[M+Na]+	300.964618	163.3
[M-H]-	276.968124	156.2
[M+NH4]+	296.009223	172.1
[M+K]+	316.938558	152.4
[M+H-H2O]+	260.972660	150.7
[M+HCOO]-	322.973601	170.9
[M+CH3COO]-	336.989251	195.4
[M+Na-2H]-	298.950066	156.6
[M]+	277.97485142	170.3
[M]-	277.97594858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.