CID 3579754

1314-32-5

Structural Information

Molecular Formula

SMILES

O=[Tl]O[Tl]=O

InChI

InChI=1S/3O.2Tl

InChIKey

QTQRFJQXXUPYDI-UHFFFAOYSA-N

Compound name

oxo(oxothallanyloxy)thallane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 491
Patents: 457.9336 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]+	458.94088	183.3
[M+Na]+	480.92282	189.7
[M-H]-	456.92632	181.3
[M+NH4]+	475.96742	203.4
[M+K]+	496.89676	188.4
[M+H-H2O]+	440.93086	175.4
[M+HCOO]-	502.93180	205.2
[M+CH3COO]-	516.94745	174.7
[M+Na-2H]-	478.90827	184.5
[M]+	457.93305	186.4
[M]-	457.93415	186.4

Literature stripe

literature stripe

Patent stripe

patents stripe