CID 16244404

1955562-11-4

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1COC2=C(C1N)C=CC=C2Br

InChI

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

InChIKey

HFFUBLNCTFQBSK-UHFFFAOYSA-N

Compound name

8-bromo-3,4-dihydro-2H-chromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 226.99458 Da
Monoisotopic Mass: 1.6
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	142.0
[M+Na]+	249.983798	152.7
[M-H]-	225.987304	149.1
[M+NH4]+	245.028403	163.1
[M+K]+	265.957738	142.6
[M+H-H2O]+	209.991840	141.9
[M+HCOO]-	271.992781	160.8
[M+CH3COO]-	286.008431	156.8
[M+Na-2H]-	247.969246	150.7
[M]+	226.99403142	157.7
[M]-	226.99512858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe