CID 10999252

4-bromo-n-methoxy-n-methylbenzamide

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

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

InChI

InChI=1S/C9H10BrNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3

InChIKey

YEHZWOBPONLEEH-UHFFFAOYSA-N

Compound name

4-bromo-N-methoxy-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 242.98949 Da
Monoisotopic Mass: 2.1
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]+	243.996766	143.2
[M+Na]+	265.978708	153.8
[M-H]-	241.982214	150.9
[M+NH4]+	261.023313	164.6
[M+K]+	281.952648	144.7
[M+H-H2O]+	225.986750	142.4
[M+HCOO]-	287.987691	166.2
[M+CH3COO]-	302.003341	193.9
[M+Na-2H]-	263.964156	149.9
[M]+	242.98894142	163.8
[M]-	242.99003858	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe