CID 53416414

1260679-52-4

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H7BrFNO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3H,4,11H2

InChIKey

MAORYUGGHHRNAT-UHFFFAOYSA-N

Compound name

2-amino-1-(4-bromo-3-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.9695 Da
Monoisotopic Mass: 1.5
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]+	231.97678	141.6
[M+Na]+	253.95872	143.9
[M+NH4]+	249.00332	145.8
[M+K]+	269.93266	144.2
[M-H]-	229.96222	141.2
[M+Na-2H]-	251.94417	144.3
[M]+	230.96895	140.4
[M]-	230.97005	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.