CID 409750

61858-39-7

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H8BrNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H,5,10H2

InChIKey

LXFGLRAUAQVJCL-UHFFFAOYSA-N

Compound name

2-amino-1-(3-bromophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 212.97893 Da
Monoisotopic Mass: 1.4
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]+	213.98621	136.1
[M+Na]+	235.96815	138.9
[M+NH4]+	231.01275	141.0
[M+K]+	251.94209	139.1
[M-H]-	211.97165	137.0
[M+Na-2H]-	233.95360	139.8
[M]+	212.97838	135.4
[M]-	212.97948	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe