CID 9576399

Einecs 267-407-5

Structural Information

Molecular Formula
C30H60O4S2Sn
SMILES
CCCC[Sn](CCCC)(SCCOC(=O)CC(C)CC(C)(C)C)SCCOC(=O)CC(C)CC(C)(C)C
InChI
InChI=1S/2C11H22O2S.2C4H9.Sn/c2*1-9(8-11(2,3)4)7-10(12)13-5-6-14;2*1-3-4-2;/h2*9,14H,5-8H2,1-4H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
RMPSVBWSZIUICW-UHFFFAOYSA-L
Compound name
2-[dibutyl-[2-(3,5,5-trimethylhexanoyloxy)ethylsulfanyl]stannyl]sulfanylethyl 3,5,5-trimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

668.29553 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.30281 268.8
[M+Na]+ 691.28475 271.5
[M-H]- 667.28825 258.8
[M+NH4]+ 686.32935 276.6
[M+K]+ 707.25869 278.2
[M+H-H2O]+ 651.29279 264.6
[M+HCOO]- 713.29373 271.4
[M+CH3COO]- 727.30938 258.4
[M+Na-2H]- 689.27020 252.5
[M]+ 668.29498 274.1
[M]- 668.29608 274.1
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.