CID 9576745

28570-24-3

Structural Information

Molecular Formula
C36H72O4S2Sn
SMILES
CCCCCCCCCCCC(=O)OCCS[Sn](CCCC)(CCCC)SCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/2C14H28O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-14(15)16-12-13-17;2*1-3-4-2;/h2*17H,2-13H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
PZOMGZDRNPMNKP-UHFFFAOYSA-L
Compound name
2-[dibutyl(2-dodecanoyloxyethylsulfanyl)stannyl]sulfanylethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

752.3894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.396676 301.1
[M+Na]+ 775.378618 302.1
[M-H]- 751.382124 280.3
[M+NH4]+ 770.423223 302.6
[M+K]+ 791.352558 307.5
[M+H-H2O]+ 735.386660 298.1
[M+HCOO]- 797.387601 303.7
[M+CH3COO]- 811.403251 273.7
[M+Na-2H]- 773.364066 279.2
[M]+ 752.38885142 302.4
[M]- 752.38994858 302.4
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

patents stripe