CID 3434987

2-bromo-1-(3,5-dichloro-2-fluorophenyl)ethanone

Structural Information

Molecular Formula

C₈H₄BrCl₂FO

SMILES

C1=C(C=C(C(=C1C(=O)CBr)F)Cl)Cl

InChI

InChI=1S/C8H4BrCl2FO/c9-3-7(13)5-1-4(10)2-6(11)8(5)12/h1-2H,3H2

InChIKey

MOMGBDKPHFILQZ-UHFFFAOYSA-N

Compound name

2-bromo-1-(3,5-dichloro-2-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 283.88065 Da
Monoisotopic Mass: 3.8
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]+	284.88793	142.4
[M+Na]+	306.86987	157.6
[M-H]-	282.87337	147.7
[M+NH4]+	301.91447	163.9
[M+K]+	322.84381	143.4
[M+H-H2O]+	266.87791	144.0
[M+HCOO]-	328.87885	154.1
[M+CH3COO]-	342.89450	194.6
[M+Na-2H]-	304.85532	147.6
[M]+	283.88010	163.3
[M]-	283.88120	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe