CID 77800

Stauffer n-4372

Structural Information

Molecular Formula
C17H36OSSn
SMILES
CCCC[Sn](CCCC)(CCCC)CCCSC(=O)C
InChI
InChI=1S/C5H9OS.3C4H9.Sn/c1-3-4-7-5(2)6;3*1-3-4-2;/h1,3-4H2,2H3;3*1,3-4H2,2H3;
InChIKey
GJRKYRZMPHWAJQ-UHFFFAOYSA-N
Compound name
S-(3-tributylstannylpropyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.15088 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15816 201.5
[M+Na]+ 431.14010 203.4
[M-H]- 407.14360 199.2
[M+NH4]+ 426.18470 216.5
[M+K]+ 447.11404 199.1
[M+H-H2O]+ 391.14814 194.1
[M+HCOO]- 453.14908 212.7
[M+CH3COO]- 467.16473 212.6
[M+Na-2H]- 429.12555 196.5
[M]+ 408.15033 209.0
[M]- 408.15143 209.0
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.