CID 16717622

Bismuth(iii) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)

Structural Information

Molecular Formula
C33H57BiO6
SMILES
CC(/C(=C/C(=O)C(C)(C)C)/O[Bi](O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C)O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C)(C)C
InChI
InChI=1S/3C11H20O2.Bi/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b3*8-7-;
InChIKey
ZNHBPQSSVCRFST-LWTKGLMZSA-K
Compound name
(Z)-5-bis[[(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl]oxy]bismuthanyloxy-2,2,6,6-tetramethylhept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.39594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.40322 258.2
[M+Na]+ 781.38516 267.4
[M-H]- 757.38866 271.0
[M+NH4]+ 776.42976 280.6
[M+K]+ 797.35910 276.8
[M+H-H2O]+ 741.39320 252.1
[M+HCOO]- 803.39414 261.7
[M+CH3COO]- 817.40979 263.5
[M+Na-2H]- 779.37061 248.7
[M]+ 758.39539 265.3
[M]- 758.39649 265.3
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

No patent data available for this compound.