CID 2783167

886762-77-2

Structural Information

Molecular Formula

C₈H₅BrF₂O

SMILES

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

InChI

InChI=1S/C8H5BrF2O/c9-4-7(12)5-2-1-3-6(10)8(5)11/h1-3H,4H2

InChIKey

ZXANJKYIJPMTES-UHFFFAOYSA-N

Compound name

2-bromo-1-(2,3-difluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 233.94917 Da
Monoisotopic Mass: 2.6
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]+	234.956446	138.9
[M+Na]+	256.938388	151.7
[M-H]-	232.941894	143.2
[M+NH4]+	251.982993	160.6
[M+K]+	272.912328	140.5
[M+H-H2O]+	216.946430	137.9
[M+HCOO]-	278.947371	158.6
[M+CH3COO]-	292.963021	188.2
[M+Na-2H]-	254.923836	144.7
[M]+	233.94862142	155.6
[M]-	233.94971858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe