CID 3053699

Trioctyl(butylthio)stannane

Structural Information

Molecular Formula
C28H60SSn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)SCCCC
InChI
InChI=1S/3C8H17.C4H10S.Sn/c3*1-3-5-7-8-6-4-2;1-2-3-4-5;/h3*1,3-8H2,2H3;5H,2-4H2,1H3;/q;;;;+1/p-1
InChIKey
PZROQMDMFKGMIK-UHFFFAOYSA-M
Compound name
butylsulfanyl(trioctyl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.34375 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.35103 244.7
[M+Na]+ 571.33297 242.0
[M-H]- 547.33647 240.1
[M+NH4]+ 566.37757 254.1
[M+K]+ 587.30691 234.5
[M+H-H2O]+ 531.34101 235.2
[M+HCOO]- 593.34195 253.0
[M+CH3COO]- 607.35760 243.8
[M+Na-2H]- 569.31842 235.4
[M]+ 548.34320 256.3
[M]- 548.34430 256.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe