CID 75355407

5-bromo-2-methoxy-n,n-dimethylaniline

Structural Information

Molecular Formula

C₉H₁₂BrNO

SMILES

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

InChI

InChI=1S/C9H12BrNO/c1-11(2)8-6-7(10)4-5-9(8)12-3/h4-6H,1-3H3

InChIKey

PRGSJBNFMZNFHJ-UHFFFAOYSA-N

Compound name

5-bromo-2-methoxy-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 229.01022 Da
Monoisotopic Mass: 2.7
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]+	230.017496	140.7
[M+Na]+	251.999438	152.3
[M-H]-	228.002944	148.7
[M+NH4]+	247.044043	163.1
[M+K]+	267.973378	142.8
[M+H-H2O]+	212.007480	140.2
[M+HCOO]-	274.008421	164.3
[M+CH3COO]-	288.024071	193.7
[M+Na-2H]-	249.984886	148.0
[M]+	229.00967142	161.6
[M]-	229.01076858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe