CID 53419381

885068-75-7

Structural Information

Molecular Formula

C₁₀H₉BrF₂O₂

SMILES

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

InChI

InChI=1S/C10H9BrF2O2/c1-2-15-9(14)10(12,13)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3

InChIKey

UFCGWVQYBZHWTA-UHFFFAOYSA-N

Compound name

ethyl 2-(3-bromophenyl)-2,2-difluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 277.9754 Da
Monoisotopic Mass: 3.5
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]+	278.98268	156.6
[M+Na]+	300.96462	158.0
[M+NH4]+	296.00922	159.5
[M+K]+	316.93856	158.3
[M-H]-	276.96812	153.6
[M+Na-2H]-	298.95007	158.1
[M]+	277.97485	154.6
[M]-	277.97595	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe