CID 2782783

2,3'-dibromo-4'-fluoroacetophenone

Structural Information

Molecular Formula

C₈H₅Br₂FO

SMILES

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

InChI

InChI=1S/C8H5Br2FO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2

InChIKey

NVCNENXQUDVWRV-UHFFFAOYSA-N

Compound name

2-bromo-1-(3-bromo-4-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 293.8691 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]+	294.87638	139.9
[M+Na]+	316.85832	151.4
[M-H]-	292.86182	145.9
[M+NH4]+	311.90292	159.3
[M+K]+	332.83226	135.9
[M+H-H2O]+	276.86636	147.5
[M+HCOO]-	338.86730	155.4
[M+CH3COO]-	352.88295	202.9
[M+Na-2H]-	314.84377	146.1
[M]+	293.86855	173.1
[M]-	293.86965	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe