CID 611452

4-bromo-2,6-diethylaniline

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CCC1=CC(=CC(=C1N)CC)Br

InChI

InChI=1S/C10H14BrN/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3

InChIKey

BEJYDMQQZUACPW-UHFFFAOYSA-N

Compound name

4-bromo-2,6-diethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
Patents: 227.03096 Da
Monoisotopic Mass: 3.5
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]+	228.03824	143.3
[M+Na]+	250.02018	155.2
[M-H]-	226.02368	149.5
[M+NH4]+	245.06478	165.2
[M+K]+	265.99412	143.3
[M+H-H2O]+	210.02822	143.1
[M+HCOO]-	272.02916	165.1
[M+CH3COO]-	286.04481	191.9
[M+Na-2H]-	248.00563	148.9
[M]+	227.03041	161.3
[M]-	227.03151	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe