CID 16684351

42324-04-9

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C(=C1)O[Bi])N=CC=C2

InChI

InChI=1S/C9H7NO.Bi/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;/q;+1/p-1

InChIKey

JIPZHVIPPSJMJK-UHFFFAOYSA-M

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 353.02533 Da
Monoisotopic Mass: None
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]+	354.03261	161.0
[M+Na]+	376.01455	175.7
[M+NH4]+	371.05915	170.3
[M+K]+	391.98849	166.1
[M-H]-	352.01805	163.9
[M+Na-2H]-	374.00000	167.9
[M]+	353.02478	164.0
[M]-	353.02588	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.