CID 15271393

173974-88-4

Structural Information

Molecular Formula

C₈H₅BrF₂O

SMILES

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

InChI

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

InChIKey

AULWQWKDUPKRJT-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-2,2-difluoroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 152
Patents: 233.94917 Da
Monoisotopic Mass: 3.3
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	140.2
[M+Na]+	256.93839	151.9
[M-H]-	232.94189	144.2
[M+NH4]+	251.98299	161.5
[M+K]+	272.91233	141.1
[M+H-H2O]+	216.94643	139.0
[M+HCOO]-	278.94737	159.0
[M+CH3COO]-	292.96302	188.0
[M+Na-2H]-	254.92384	145.4
[M]+	233.94862	155.9
[M]-	233.94972	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe