CID 9577822

84896-44-6

Structural Information

Molecular Formula
C40H80O4S2Sn
SMILES
CCCC[Sn](CCCC)(SCCC(=O)OCCCCCCCCCCC(C)C)SCCC(=O)OCCCCCCCCCCC(C)C
InChI
InChI=1S/2C16H32O2S.2C4H9.Sn/c2*1-15(2)11-9-7-5-3-4-6-8-10-13-18-16(17)12-14-19;2*1-3-4-2;/h2*15,19H,3-14H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
ZVPIONMDWKYASL-UHFFFAOYSA-L
Compound name
11-methyldodecyl 3-[dibutyl-[3-(11-methyldodecoxy)-3-oxopropyl]sulfanylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

808.452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 809.45928 313.6
[M+Na]+ 831.44122 315.0
[M-H]- 807.44472 294.5
[M+NH4]+ 826.48582 318.2
[M+K]+ 847.41516 323.0
[M+H-H2O]+ 791.44926 311.4
[M+HCOO]- 853.45020 310.2
[M+CH3COO]- 867.46585 285.3
[M+Na-2H]- 829.42667 291.4
[M]+ 808.45145 315.2
[M]- 808.45255 315.2
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.