CID 121350252

1214373-78-0

Structural Information

Molecular Formula

C₈H₄BrF₃O

SMILES

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

InChI

InChI=1S/C8H4BrF3O/c9-3-7(13)5-1-4(10)2-6(11)8(5)12/h1-2H,3H2

InChIKey

PEXKECGOLQXUFE-UHFFFAOYSA-N

Compound name

2-bromo-1-(2,3,5-trifluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 251.93976 Da
Monoisotopic Mass: 2.7
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]+	252.94704	152.5
[M+Na]+	274.92898	154.6
[M+NH4]+	269.97358	155.4
[M+K]+	290.90292	154.0
[M-H]-	250.93248	149.3
[M+Na-2H]-	272.91443	153.5
[M]+	251.93921	150.6
[M]-	251.94031	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe