CID 23152161

2-bromo-n-(3,5-difluorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₆BrF₂NO

SMILES

C1=C(C=C(C=C1F)F)NC(=O)CBr

InChI

InChI=1S/C8H6BrF2NO/c9-4-8(13)12-7-2-5(10)1-6(11)3-7/h1-3H,4H2,(H,12,13)

InChIKey

YMXZOQRAUCACRG-UHFFFAOYSA-N

Compound name

2-bromo-N-(3,5-difluorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 248.96008 Da
Monoisotopic Mass: 2.1
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]+	249.96736	147.9
[M+Na]+	271.94930	149.6
[M+NH4]+	266.99390	151.4
[M+K]+	287.92324	149.4
[M-H]-	247.95280	146.2
[M+Na-2H]-	269.93475	150.0
[M]+	248.95953	146.3
[M]-	248.96063	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe