CID 16685173

142617-53-6

Structural Information

Molecular Formula
C33H57BiO6
SMILES
CC(C)(C)C(=CC(=O)C(C)(C)C)O[Bi](OC(=CC(=O)C(C)(C)C)C(C)(C)C)OC(=CC(=O)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
InChIKey
ZNHBPQSSVCRFST-UHFFFAOYSA-K
Compound name
5-bis[(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

15
Patents

758.39594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.40322 262.8
[M+Na]+ 781.38516 268.1
[M+NH4]+ 776.42976 271.2
[M+K]+ 797.35910 274.2
[M-H]- 757.38866 260.8
[M+Na-2H]- 779.37061 255.8
[M]+ 758.39539 265.6
[M]- 758.39649 265.6
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.