CID 21075371

5-bromo-2-(prop-2-en-1-yloxy)aniline

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

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

InChI

InChI=1S/C9H10BrNO/c1-2-5-12-9-4-3-7(10)6-8(9)11/h2-4,6H,1,5,11H2

InChIKey

OZERBGUUWVWMLJ-UHFFFAOYSA-N

Compound name

5-bromo-2-prop-2-enoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 226.99458 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]+	228.001856	140.4
[M+Na]+	249.983798	152.0
[M-H]-	225.987304	146.4
[M+NH4]+	245.028403	161.8
[M+K]+	265.957738	140.2
[M+H-H2O]+	209.991840	140.0
[M+HCOO]-	271.992781	163.0
[M+CH3COO]-	286.008431	189.0
[M+Na-2H]-	247.969246	147.2
[M]+	226.99403142	158.4
[M]-	226.99512858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe