CID 2795030

207986-25-2

Structural Information

Molecular Formula

C₁₂H₁₆BrNO

SMILES

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

InChI

InChI=1S/C12H16BrNO/c1-3-14(4-2)11-7-5-10(6-8-11)12(15)9-13/h5-8H,3-4,9H2,1-2H3

InChIKey

ALTMCDJIFXTEPV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 229
Patents: 269.04153 Da
Monoisotopic Mass: 3.3
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]+	270.04881	154.5
[M+Na]+	292.03075	163.9
[M-H]-	268.03425	161.6
[M+NH4]+	287.07535	174.9
[M+K]+	308.00469	153.6
[M+H-H2O]+	252.03879	153.3
[M+HCOO]-	314.03973	176.3
[M+CH3COO]-	328.05538	201.1
[M+Na-2H]-	290.01620	159.5
[M]+	269.04098	174.8
[M]-	269.04208	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe