CID 72233277

4-bromo-2-cyclopropoxyaniline

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1CC1OC2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C9H10BrNO/c10-6-1-4-8(11)9(5-6)12-7-2-3-7/h1,4-5,7H,2-3,11H2

InChIKey

HQAHRTMNFJFYBA-UHFFFAOYSA-N

Compound name

4-bromo-2-cyclopropyloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 226.99458 Da
Monoisotopic Mass: 2.5
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]+	228.00186	139.3
[M+Na]+	249.98380	152.5
[M-H]-	225.98730	149.2
[M+NH4]+	245.02840	156.3
[M+K]+	265.95774	140.8
[M+H-H2O]+	209.99184	138.4
[M+HCOO]-	271.99278	162.4
[M+CH3COO]-	286.00843	191.4
[M+Na-2H]-	247.96925	146.8
[M]+	226.99403	158.5
[M]-	226.99513	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe