CID 3070917

87124-01-4

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

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

InChI

InChI=1S/C9H10BrNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6H,11H2,1H3

InChIKey

QYLHFDPIVWASPH-UHFFFAOYSA-N

Compound name

2-amino-1-(4-bromophenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 226.99458 Da
Monoisotopic Mass: 1.8
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]+	228.00186	139.4
[M+Na]+	249.98380	141.7
[M+NH4]+	245.02840	144.1
[M+K]+	265.95774	142.5
[M-H]-	225.98730	140.1
[M+Na-2H]-	247.96925	142.6
[M]+	226.99403	138.6
[M]-	226.99513	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe