CID 16683509

Bismuthine, (acetyloxy)diphenyl-

Structural Information

Molecular Formula

C₁₄H₁₃BiO₂

SMILES

CC(=O)O[Bi](C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/2C6H5.C2H4O2.Bi/c2*1-2-4-6-5-3-1;1-2(3)4;/h2*1-5H;1H3,(H,3,4);/q;;;+1/p-1

InChIKey

GQDHGSXQYMVUJR-UHFFFAOYSA-M

Compound name

diphenylbismuthanyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 422.07196 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]+	423.07924	189.6
[M+Na]+	445.06118	193.8
[M-H]-	421.06468	194.3
[M+NH4]+	440.10578	204.8
[M+K]+	461.03512	190.0
[M+H-H2O]+	405.06922	179.9
[M+HCOO]-	467.07016	210.0
[M+CH3COO]-	481.08581	197.1
[M+Na-2H]-	443.04663	190.4
[M]+	422.07141	189.7
[M]-	422.07251	189.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe