CID 511509

Conoidin a

Structural Information

Molecular Formula

C₁₀H₈Br₂N₂O₂

SMILES

C1=CC=C2C(=C1)N(C(=C([N+]2=O)CBr)CBr)[O-]

InChI

InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2

InChIKey

DQKNFTLRMZOAMG-UHFFFAOYSA-N

Compound name

2,3-bis(bromomethyl)-4-oxidoquinoxalin-1-ium 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 11
Patents: 345.89526 Da
Monoisotopic Mass: 1.1
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]+	346.90254	164.3
[M+Na]+	368.88448	161.0
[M+NH4]+	363.92908	166.0
[M+K]+	384.85842	167.6
[M-H]-	344.88798	165.1
[M+Na-2H]-	366.86993	164.8
[M]+	345.89471	163.0
[M]-	345.89581	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe