CID 213485

Isooctyl ((trioctylstannyl)thio)acetate

Structural Information

Molecular Formula
C34H70O2SSn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/C10H20O2S.3C8H17.Sn/c1-9(2)6-4-3-5-7-12-10(11)8-13;3*1-3-5-7-8-6-4-2;/h9,13H,3-8H2,1-2H3;3*1,3-8H2,2H3;/q;;;;+1/p-1
InChIKey
RVRHJEQVRABJHQ-UHFFFAOYSA-M
Compound name
6-methylheptyl 2-trioctylstannylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.41187 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.41915 282.4
[M+Na]+ 685.40109 286.5
[M-H]- 661.40459 263.6
[M+NH4]+ 680.44569 283.3
[M+K]+ 701.37503 290.5
[M+H-H2O]+ 645.40913 279.8
[M+HCOO]- 707.41007 286.5
[M+CH3COO]- 721.42572 263.8
[M+Na-2H]- 683.38654 263.1
[M]+ 662.41132 283.0
[M]- 662.41242 283.0
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.