CID 44145188

82554-77-6

Structural Information

Molecular Formula
C14H28O2S2Sn
SMILES
CCCC[Sn](=S)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/C10H20O2S.C4H9.S.Sn/c1-9(2)6-4-3-5-7-12-10(11)8-13;1-3-4-2;;/h9,13H,3-8H2,1-2H3;1,3-4H2,2H3;;/q;;;+1/p-1
InChIKey
NMVTWEGLGYAJFF-UHFFFAOYSA-M
Compound name
butyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl-sulfanylidenetin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.05527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06255 193.7
[M+Na]+ 435.04449 195.5
[M-H]- 411.04799 191.3
[M+NH4]+ 430.08909 207.9
[M+K]+ 451.01843 190.8
[M+H-H2O]+ 395.05253 185.8
[M+HCOO]- 457.05347 199.7
[M+CH3COO]- 471.06912 210.1
[M+Na-2H]- 433.02994 185.7
[M]+ 412.05472 200.4
[M]- 412.05582 200.4
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.