CID 140389

4-bromo-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

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

InChI

InChI=1S/C9H10BrNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3

InChIKey

BRRVYBRXLUEEJP-UHFFFAOYSA-N

Compound name

4-bromo-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 307
Patents: 226.99458 Da
Monoisotopic Mass: 1.7
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]+	228.001856	140.5
[M+Na]+	249.983798	151.2
[M-H]-	225.987304	148.2
[M+NH4]+	245.028403	162.6
[M+K]+	265.957738	141.7
[M+H-H2O]+	209.991840	140.0
[M+HCOO]-	271.992781	163.3
[M+CH3COO]-	286.008431	192.0
[M+Na-2H]-	247.969246	147.2
[M]+	226.99403142	159.7
[M]-	226.99512858	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe