CID 9577639

Ff2qctjh3u

Structural Information

Molecular Formula
C22H42O4S2Sn
SMILES
CCCCCCCC[Sn]1(SCC(=O)OCCOC(=O)CS1)CCCCCCCC
InChI
InChI=1S/2C8H17.C6H10O4S2.Sn/c2*1-3-5-7-8-6-4-2;7-5(3-11)9-1-2-10-6(8)4-12;/h2*1,3-8H2,2H3;11-12H,1-4H2;/q;;;+2/p-2
InChIKey
XTFWXVDCMIKXBZ-UHFFFAOYSA-L
Compound name
5,5-dioctyl-1,9-dioxa-4,6-dithia-5-stannacycloundecane-2,8-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

554.15466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.16194 222.9
[M+Na]+ 577.14388 222.6
[M-H]- 553.14738 221.3
[M+NH4]+ 572.18848 228.5
[M+K]+ 593.11782 219.7
[M+H-H2O]+ 537.15192 218.6
[M+HCOO]- 599.15286 224.9
[M+CH3COO]- 613.16851 227.2
[M+Na-2H]- 575.12933 216.9
[M]+ 554.15411 225.8
[M]- 554.15521 225.8
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.