CID 2783255

7542-64-5

Structural Information

Molecular Formula

C₈H₅Br₂FO

SMILES

C1=CC(=CC=C1C(=O)C(Br)Br)F

InChI

InChI=1S/C8H5Br2FO/c9-8(10)7(12)5-1-3-6(11)4-2-5/h1-4,8H

InChIKey

XFFGHBAVJPOWDG-UHFFFAOYSA-N

Compound name

2,2-dibromo-1-(4-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 293.8691 Da
Monoisotopic Mass: 3.4
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]+	294.87638	141.9
[M+Na]+	316.85832	152.5
[M-H]-	292.86182	147.7
[M+NH4]+	311.90292	161.0
[M+K]+	332.83226	137.3
[M+H-H2O]+	276.86636	149.4
[M+HCOO]-	338.86730	156.6
[M+CH3COO]-	352.88295	202.7
[M+Na-2H]-	314.84377	147.5
[M]+	293.86855	174.3
[M]-	293.86965	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe