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: 10
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]+	243.99677	143.0
[M+Na]+	265.97871	145.8
[M+NH4]+	261.02331	147.5
[M+K]+	281.95265	146.3
[M-H]-	241.98221	143.7
[M+Na-2H]-	263.96416	146.3
[M]+	242.98894	142.3
[M]-	242.99004	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe