CID 16685266

62811-75-0

Structural Information

Molecular Formula
C6H9O6Tl
SMILES
CC(=O)O[Tl](OC(=O)C)OC(=O)C
InChI
InChI=1S/3C2H4O2.Tl/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
InChIKey
SMRRYUGQTFYZGD-UHFFFAOYSA-K
Compound name
diacetyloxythallanyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.01434 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.02162 174.5
[M+Na]+ 405.00356 179.8
[M-H]- 381.00706 173.5
[M+NH4]+ 400.04816 191.8
[M+K]+ 420.97750 181.3
[M+H-H2O]+ 365.01160 167.6
[M+HCOO]- 427.01254 194.0
[M+CH3COO]- 441.02819 188.8
[M+Na-2H]- 402.98901 172.5
[M]+ 382.01379 180.3
[M]- 382.01489 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.