CID 57516534

4-bromo-n,2-dimethylbenzamide

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

CC1=C(C=CC(=C1)Br)C(=O)NC

InChI

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

InChIKey

NFMDVDVBIHOWTE-UHFFFAOYSA-N

Compound name

4-bromo-N,2-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 226.99458 Da
Monoisotopic Mass: 2.3
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]+	228.001856	140.2
[M+Na]+	249.983798	151.7
[M-H]-	225.987304	146.9
[M+NH4]+	245.028403	162.0
[M+K]+	265.957738	140.7
[M+H-H2O]+	209.991840	140.0
[M+HCOO]-	271.992781	162.5
[M+CH3COO]-	286.008431	189.8
[M+Na-2H]-	247.969246	147.0
[M]+	226.99403142	158.6
[M]-	226.99512858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe