CID 9588111

Di-n-octyltin 1,4-butanediol-bis-mercaptoacetate

Structural Information

Molecular Formula
C24H46O4S2Sn
SMILES
CCCCCCCC[Sn]1(SCC(=O)OCCCCOC(=O)CS1)CCCCCCCC
InChI
InChI=1S/C8H14O4S2.2C8H17.Sn/c9-7(5-13)11-3-1-2-4-12-8(10)6-14;2*1-3-5-7-8-6-4-2;/h13-14H,1-6H2;2*1,3-8H2,2H3;/q;;;+2/p-2
InChIKey
BWEUIUUOUFUGLN-UHFFFAOYSA-L
Compound name
5,5-dioctyl-1,9-dioxa-4,6-dithia-5-stannacyclotridecane-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.186 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.19328 230.8
[M+Na]+ 605.17522 229.2
[M-H]- 581.17872 229.2
[M+NH4]+ 600.21982 235.0
[M+K]+ 621.14916 226.2
[M+H-H2O]+ 565.18326 226.4
[M+HCOO]- 627.18420 231.3
[M+CH3COO]- 641.19985 230.9
[M+Na-2H]- 603.16067 223.7
[M]+ 582.18545 232.0
[M]- 582.18655 232.0
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