CID 142225

37904-72-6

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

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

InChI

InChI=1S/C10H12BrNO/c1-12(2)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3

InChIKey

YWNKTZFJKMGVRP-UHFFFAOYSA-N

Compound name

2-bromo-1-[4-(dimethylamino)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 241.01022 Da
Monoisotopic Mass: 2.9
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]+	242.01750	142.4
[M+Na]+	263.99944	145.3
[M+NH4]+	259.04404	147.4
[M+K]+	279.97338	145.5
[M-H]-	240.00294	143.8
[M+Na-2H]-	261.98489	146.4
[M]+	241.00967	142.0
[M]-	241.01077	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe