CID 15943304

3-bromo-4-methoxy-n-methylbenzamide

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

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

InChI

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

InChIKey

JBCQEPXWGQKBBD-UHFFFAOYSA-N

Compound name

3-bromo-4-methoxy-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 242.98949 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]+	243.996766	142.9
[M+Na]+	265.978708	154.2
[M-H]-	241.982214	149.5
[M+NH4]+	261.023313	164.0
[M+K]+	281.952648	143.7
[M+H-H2O]+	225.986750	142.3
[M+HCOO]-	287.987691	165.4
[M+CH3COO]-	302.003341	191.7
[M+Na-2H]-	263.964156	149.6
[M]+	242.98894142	162.6
[M]-	242.99003858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe