CID 14029260

Advastab tm 188

Structural Information

Molecular Formula
C36H72O4S2Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C10H20O2S.2C8H17.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
HLRRSFOQAFMOTJ-UHFFFAOYSA-L
Compound name
6-methylheptyl 2-[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

647
Patents

752.3894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.39668 300.4
[M+Na]+ 775.37862 302.4
[M-H]- 751.38212 282.7
[M+NH4]+ 770.42322 305.0
[M+K]+ 791.35256 308.8
[M+H-H2O]+ 735.38666 298.6
[M+HCOO]- 797.38760 298.4
[M+CH3COO]- 811.40325 274.9
[M+Na-2H]- 773.36407 279.8
[M]+ 752.38885 302.0
[M]- 752.38995 302.0
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

patents stripe