CID 16684041

20556-89-2

Structural Information

Molecular Formula
C30H44O4Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/2C11H14O2.2C4H9.Sn/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;2*1-3-4-2;/h2*4-7H,1-3H3,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
YNCQGWVMWXCNKY-UHFFFAOYSA-L
Compound name
[dibutyl-(4-tert-butylbenzoyl)oxystannyl] 4-tert-butylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

588.22614 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.23342 243.6
[M+Na]+ 611.21536 244.8
[M-H]- 587.21886 247.8
[M+NH4]+ 606.25996 250.3
[M+K]+ 627.18930 241.1
[M+H-H2O]+ 571.22340 234.0
[M+HCOO]- 633.22434 255.4
[M+CH3COO]- 647.23999 245.3
[M+Na-2H]- 609.20081 240.6
[M]+ 588.22559 250.7
[M]- 588.22669 250.7
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

patents stripe