CID 7015503

4-bromo-3-ethoxyaniline hydrochloride

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CCOC1=C(C=CC(=C1)N)Br

InChI

InChI=1S/C8H10BrNO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2,10H2,1H3

InChIKey

QQAPQSYFPIYHGU-UHFFFAOYSA-N

Compound name

4-bromo-3-ethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 214.99458 Da
Monoisotopic Mass: 2.2
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]+	216.00186	137.3
[M+Na]+	237.98380	149.1
[M-H]-	213.98730	143.5
[M+NH4]+	233.02840	159.4
[M+K]+	253.95774	138.1
[M+H-H2O]+	197.99184	137.1
[M+HCOO]-	259.99278	160.1
[M+CH3COO]-	274.00843	187.0
[M+Na-2H]-	235.96925	144.7
[M]+	214.99403	155.7
[M]-	214.99513	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe