CID 9576071

Bis(dodecylthio)dioctylstannane

Structural Information

Molecular Formula
C40H84S2Sn
SMILES
CCCCCCCCCCCCS[Sn](CCCCCCCC)(CCCCCCCC)SCCCCCCCCCCCC
InChI
InChI=1S/2C12H26S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-5-7-8-6-4-2;/h2*13H,2-12H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
ZLQKLRJBHMDQPD-UHFFFAOYSA-L
Compound name
bis(dodecylsulfanyl)-dioctylstannane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

73
Patents

748.50366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.510936 313.5
[M+Na]+ 771.492878 313.5
[M-H]- 747.496384 284.0
[M+NH4]+ 766.537483 308.1
[M+K]+ 787.466818 320.7
[M+H-H2O]+ 731.500920 308.0
[M+HCOO]- 793.501861 317.2
[M+CH3COO]- 807.517511 279.7
[M+Na-2H]- 769.478326 288.9
[M]+ 748.50311142 314.7
[M]- 748.50420858 314.7
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