CID 53440663

2-bromo-3,5-dimethoxyaniline

Structural Information

Molecular Formula

C₈H₁₀BrNO₂

SMILES

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

InChI

InChI=1S/C8H10BrNO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,10H2,1-2H3

InChIKey

XVEXDSJIDAIIAP-UHFFFAOYSA-N

Compound name

2-bromo-3,5-dimethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.98949 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]+	231.99677	139.5
[M+Na]+	253.97871	151.9
[M-H]-	229.98221	145.9
[M+NH4]+	249.02331	161.1
[M+K]+	269.95265	141.4
[M+H-H2O]+	213.98675	139.1
[M+HCOO]-	275.98769	162.3
[M+CH3COO]-	290.00334	190.0
[M+Na-2H]-	251.96416	146.2
[M]+	230.98894	159.5
[M]-	230.99004	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe