CID 4983229

368839-12-7

Structural Information

Molecular Formula

C₈H₈BrNO₂

SMILES

C1COC2=C(O1)C=C(C(=C2)Br)N

InChI

InChI=1S/C8H8BrNO2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2,10H2

InChIKey

RSBPTTBZKJYYLM-UHFFFAOYSA-N

Compound name

6-bromo-2,3-dihydro-1,4-benzodioxin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 228.97385 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]+	229.98113	138.6
[M+Na]+	251.96307	142.4
[M+NH4]+	247.00767	144.3
[M+K]+	267.93701	143.0
[M-H]-	227.96657	142.6
[M+Na-2H]-	249.94852	141.1
[M]+	228.97330	139.1
[M]-	228.97440	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe