CID 855036

N-(3-bromophenyl)-4-methoxybenzamide

Structural Information

Molecular Formula

C₁₄H₁₂BrNO₂

SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H12BrNO2/c1-18-13-7-5-10(6-8-13)14(17)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H,16,17)

InChIKey

UYKRKRIEVVRACV-UHFFFAOYSA-N

Compound name

N-(3-bromophenyl)-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 305.00513 Da
Monoisotopic Mass: 3.9
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]+	306.012406	160.0
[M+Na]+	327.994348	170.1
[M-H]-	303.997854	169.2
[M+NH4]+	323.038953	178.2
[M+K]+	343.968288	158.7
[M+H-H2O]+	288.002390	158.4
[M+HCOO]-	350.003331	182.2
[M+CH3COO]-	364.018981	201.8
[M+Na-2H]-	325.979796	166.5
[M]+	305.00458142	179.0
[M]-	305.00567858	179.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.