CID 16684545

Tributyl((p-tert-butylbenzoyl)oxy)stannane

Structural Information

Molecular Formula
C23H40O2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C11H14O2.3C4H9.Sn/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;3*1-3-4-2;/h4-7H,1-3H3,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
YSMNPCUUJJDTNG-UHFFFAOYSA-M
Compound name
tributylstannyl 4-tert-butylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.20505 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.21233 217.9
[M+Na]+ 491.19427 220.0
[M-H]- 467.19777 218.9
[M+NH4]+ 486.23887 230.0
[M+K]+ 507.16821 215.8
[M+H-H2O]+ 451.20231 209.7
[M+HCOO]- 513.20325 232.7
[M+CH3COO]- 527.21890 225.0
[M+Na-2H]- 489.17972 215.8
[M]+ 468.20450 224.2
[M]- 468.20560 224.2
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.