CID 121234640

1357624-45-3

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H5BrClFO/c9-8(11)7(12)5-1-3-6(10)4-2-5/h1-4,8H

InChIKey

HJPGDTSWDHCNSM-UHFFFAOYSA-N

Compound name

2-bromo-1-(4-chlorophenyl)-2-fluoroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 249.91963 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]+	250.926906	140.2
[M+Na]+	272.908848	153.0
[M-H]-	248.912354	145.5
[M+NH4]+	267.953453	162.0
[M+K]+	288.882788	140.5
[M+H-H2O]+	232.916890	140.9
[M+HCOO]-	294.917831	155.8
[M+CH3COO]-	308.933481	189.0
[M+Na-2H]-	270.894296	146.0
[M]+	249.91908142	159.1
[M]-	249.92017858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe