CID 117334

Wai2rom2b4

Structural Information

Molecular Formula
C34H66O6S3Sn
SMILES
CCCCC(CC)COC(=O)CS[Sn](CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
InChI
InChI=1S/3C10H20O2S.C4H9.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
HHDNFMPQAVDNGA-UHFFFAOYSA-K
Compound name
2-ethylhexyl 2-[butyl-bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

786.3044 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.31168 291.9
[M+Na]+ 809.29362 299.2
[M+NH4]+ 804.33822 298.0
[M+K]+ 825.26756 292.6
[M-H]- 785.29712 281.8
[M+Na-2H]- 807.27907 291.1
[M]+ 786.30385 291.4
[M]- 786.30495 291.4
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