CID 16683418

73940-87-1

Structural Information

Molecular Formula
C40H30O4Sn2
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C#CC(=O)O[Sn](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/6C6H5.C4H2O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2
InChIKey
SLGYKHPLCAJEHH-UHFFFAOYSA-L
Compound name
bis(triphenylstannyl) but-2-ynedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

814.0188 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.02608 296.2
[M+Na]+ 837.00802 297.6
[M-H]- 813.01152 303.0
[M+NH4]+ 832.05262 291.4
[M+K]+ 852.98196 284.0
[M+H-H2O]+ 797.01606 273.5
[M+HCOO]- 859.01700 301.6
[M+CH3COO]- 873.03265 293.6
[M+Na-2H]- 834.99347 290.4
[M]+ 814.01825 285.8
[M]- 814.01935 285.8
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.