CID 16328

4-bromo-n,n-diethylaniline

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CCN(CC)C1=CC=C(C=C1)Br

InChI

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

InChIKey

NGYMZFJVHHKJQR-UHFFFAOYSA-N

Compound name

4-bromo-N,N-diethylaniline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 456
Patents: 227.03096 Da
Monoisotopic Mass: 4.0
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	153.6
[M-H]-	226.02368	150.7
[M+NH4]+	245.06478	165.5
[M+K]+	265.99412	143.5
[M+H-H2O]+	210.02822	142.6
[M+HCOO]-	272.02916	166.3
[M+CH3COO]-	286.04481	193.7
[M+Na-2H]-	248.00563	150.6
[M]+	227.03041	162.8
[M]-	227.03151	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe