CID 71310203

Thallium(i) trifluoroacetylacetonate

Structural Information

Molecular Formula
C5H4F3O2Tl
SMILES
C/C(=C\C(=O)C(F)(F)F)/O[Tl]
InChI
InChI=1S/C5H5F3O2.Tl/c1-3(9)2-4(10)5(6,7)8;/h2,9H,1H3;/q;+1/p-1/b3-2+;
InChIKey
OIDHRVWTLISQKC-SQQVDAMQSA-M
Compound name
[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.99078 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.99806 167.9
[M+Na]+ 380.98000 174.5
[M-H]- 356.98350 163.1
[M+NH4]+ 376.02460 186.3
[M+K]+ 396.95394 172.9
[M+H-H2O]+ 340.98804 159.4
[M+HCOO]- 402.98898 183.8
[M+CH3COO]- 417.00463 185.8
[M+Na-2H]- 378.96545 167.5
[M]+ 357.99023 165.2
[M]- 357.99133 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe