CID 106928

67874-45-7

Structural Information

Molecular Formula
C34H66O6S3Sn
SMILES
CC(CC(=O)OCCS[Sn](C)(SCCOC(=O)CC(C)CC(C)(C)C)SCCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
InChI
InChI=1S/3C11H22O2S.CH3.Sn/c3*1-9(8-11(2,3)4)7-10(12)13-5-6-14;;/h3*9,14H,5-8H2,1-4H3;1H3;/q;;;;+3/p-3
InChIKey
BABFIOGTMBXLHI-UHFFFAOYSA-K
Compound name
2-[methyl-bis[2-(3,5,5-trimethylhexanoyloxy)ethylsulfanyl]stannyl]sulfanylethyl 3,5,5-trimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

786.3044 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.31168 264.3
[M+Na]+ 809.29362 267.7
[M+NH4]+ 804.33822 280.1
[M+K]+ 825.26756 270.7
[M-H]- 785.29712 264.1
[M+Na-2H]- 807.27907 255.2
[M]+ 786.30385 265.4
[M]- 786.30495 265.4
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