CID 4498254

4-bromo-n,n-diethylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

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

InChI

InChI=1S/C11H14BrNO/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3

InChIKey

LDUPVXSXLZOQAF-UHFFFAOYSA-N

Compound name

4-bromo-N,N-diethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 255.02588 Da
Monoisotopic Mass: 1.9
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]+	256.03316	150.0
[M+Na]+	278.01510	159.9
[M-H]-	254.01860	157.3
[M+NH4]+	273.05970	171.0
[M+K]+	293.98904	149.8
[M+H-H2O]+	238.02314	149.0
[M+HCOO]-	300.02408	172.1
[M+CH3COO]-	314.03973	197.6
[M+Na-2H]-	276.00055	155.5
[M]+	255.02533	169.8
[M]-	255.02643	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe