CID 16717622

Refchem:569514

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]+ 759.403216 258.2
[M+Na]+ 781.385158 267.4
[M-H]- 757.388664 271.0
[M+NH4]+ 776.429763 280.6
[M+K]+ 797.359098 276.8
[M+H-H2O]+ 741.393200 252.1
[M+HCOO]- 803.394141 261.7
[M+CH3COO]- 817.409791 263.5
[M+Na-2H]- 779.370606 248.7
[M]+ 758.39539142 265.3
[M]- 758.39648858 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.