CID 62083922

1-(4,5-dibromofuran-2-yl)methanamine

Structural Information

Molecular Formula

C₅H₅Br₂NO

SMILES

C1=C(OC(=C1Br)Br)CN

InChI

InChI=1S/C5H5Br2NO/c6-4-1-3(2-8)9-5(4)7/h1H,2,8H2

InChIKey

WPKYNUYQJKQQJT-UHFFFAOYSA-N

Compound name

(4,5-dibromofuran-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.8738 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]+	253.88108	136.8
[M+Na]+	275.86302	148.7
[M-H]-	251.86652	144.0
[M+NH4]+	270.90762	157.4
[M+K]+	291.83696	134.1
[M+H-H2O]+	235.87106	144.2
[M+HCOO]-	297.87200	154.4
[M+CH3COO]-	311.88765	197.2
[M+Na-2H]-	273.84847	143.6
[M]+	252.87325	170.3
[M]-	252.87435	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.