CID 9588110

Stannane, bis(lauroyloxycarbonylmethylthio)dioctyl-

Structural Information

Molecular Formula
C44H84O6S2Sn
SMILES
CCCCCCCCCCCC(=O)OC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/2C14H26O3S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13(15)17-14(16)12-18;2*1-3-5-7-8-6-4-2;/h2*18H,2-12H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
VNZXSJOCANRBAJ-UHFFFAOYSA-L
Compound name
[2-[(2-dodecanoyloxy-2-oxoethyl)sulfanyl-dioctylstannyl]sulfanylacetyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

892.47314 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 893.48042 311.0
[M+Na]+ 915.46236 315.9
[M+NH4]+ 910.50696 315.1
[M+K]+ 931.43630 312.8
[M-H]- 891.46586 296.2
[M+Na-2H]- 913.44781 307.3
[M]+ 892.47259 308.9
[M]- 892.47369 308.9
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