CID 20785359

864773-64-8

Structural Information

Molecular Formula

C₈H₅BrF₂O

SMILES

CC(=O)C1=CC(=C(C=C1F)F)Br

InChI

InChI=1S/C8H5BrF2O/c1-4(12)5-2-6(9)8(11)3-7(5)10/h2-3H,1H3

InChIKey

KXZHDRBQPYKHKS-UHFFFAOYSA-N

Compound name

1-(5-bromo-2,4-difluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 233.94917 Da
Monoisotopic Mass: 2.5
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]+	234.95645	144.4
[M+Na]+	256.93839	147.4
[M+NH4]+	251.98299	148.2
[M+K]+	272.91233	147.1
[M-H]-	232.94189	142.6
[M+Na-2H]-	254.92384	146.5
[M]+	233.94862	143.0
[M]-	233.94972	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe