CID 16693763

Thallium(i) hexafluoroacetylacetonate

Structural Information

Molecular Formula
C5HF6O2Tl
SMILES
C(=C(/C(F)(F)F)\O[Tl])\C(=O)C(F)(F)F
InChI
InChI=1S/C5H2F6O2.Tl/c6-4(7,8)2(12)1-3(13)5(9,10)11;/h1,12H;/q;+1/p-1/b2-1-;
InChIKey
YHQMYQKZMHUWEZ-ODZAUARKSA-M
Compound name
[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxythallium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

411.9625 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.96978 175.2
[M+Na]+ 434.95172 182.4
[M-H]- 410.95522 166.7
[M+NH4]+ 429.99632 191.2
[M+K]+ 450.92566 180.0
[M+H-H2O]+ 394.95976 164.5
[M+HCOO]- 456.96070 186.3
[M+CH3COO]- 470.97635 194.2
[M+Na-2H]- 432.93717 173.9
[M]+ 411.96195 167.8
[M]- 411.96305 167.8
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

patents stripe