CID 96377

2-tribromomethylquinoxaline

Structural Information

Molecular Formula

C₉H₅Br₃N₂

SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(Br)(Br)Br

InChI

InChI=1S/C9H5Br3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-5H

InChIKey

VCCOPRMZNNMFLI-UHFFFAOYSA-N

Compound name

2-(tribromomethyl)quinoxaline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 93
Patents: 377.8003 Da
Monoisotopic Mass: 3.4
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]+	378.80758	140.1
[M+Na]+	400.78952	148.4
[M-H]-	376.79302	145.0
[M+NH4]+	395.83412	154.0
[M+K]+	416.76346	134.1
[M+H-H2O]+	360.79756	156.1
[M+HCOO]-	422.79850	148.8
[M+CH3COO]-	436.81415	151.4
[M+Na-2H]-	398.77497	148.7
[M]+	377.79975	181.2
[M]-	377.80085	181.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe