CID 459353

1-bromodibenzo[b,d]furan-4-amine

Structural Information

Molecular Formula

C₁₂H₈BrNO

SMILES

C1=CC=C2C(=C1)C3=C(C=CC(=C3O2)N)Br

InChI

InChI=1S/C12H8BrNO/c13-8-5-6-9(14)12-11(8)7-3-1-2-4-10(7)15-12/h1-6H,14H2

InChIKey

HJQPXHGOYBUDPE-UHFFFAOYSA-N

Compound name

1-bromodibenzofuran-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 55
Patents: 260.97894 Da
Monoisotopic Mass: 3.7
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]+	261.98622	150.8
[M+Na]+	283.96816	165.2
[M-H]-	259.97166	160.0
[M+NH4]+	279.01276	173.7
[M+K]+	299.94210	154.1
[M+H-H2O]+	243.97620	151.2
[M+HCOO]-	305.97714	173.2
[M+CH3COO]-	319.99279	166.9
[M+Na-2H]-	281.95361	160.1
[M]+	260.97839	171.4
[M]-	260.97949	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe