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
3
Annotation Hits

0
References

83
Patents

748.50366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.51094 313.5
[M+Na]+ 771.49288 313.5
[M-H]- 747.49638 284.0
[M+NH4]+ 766.53748 308.1
[M+K]+ 787.46682 320.7
[M+H-H2O]+ 731.50092 308.0
[M+HCOO]- 793.50186 317.2
[M+CH3COO]- 807.51751 279.7
[M+Na-2H]- 769.47833 288.9
[M]+ 748.50311 314.7
[M]- 748.50421 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