CID 542895

2,6-dibromo-4-methoxyaniline

Structural Information

Molecular Formula

C₇H₇Br₂NO

SMILES

COC1=CC(=C(C(=C1)Br)N)Br

InChI

InChI=1S/C7H7Br2NO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3

InChIKey

JIZVMILRYBKPFN-UHFFFAOYSA-N

Compound name

2,6-dibromo-4-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 278.88943 Da
Monoisotopic Mass: 2.6
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]+	279.89671	145.8
[M+Na]+	301.87865	141.1
[M+NH4]+	296.92325	148.0
[M+K]+	317.85259	147.4
[M-H]-	277.88215	146.9
[M+Na-2H]-	299.86410	147.4
[M]+	278.88888	144.3
[M]-	278.88998	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe