CID 9575995

13468-00-3

Structural Information

Molecular Formula
C14H26O4S2Sn
SMILES
CCCC[Sn]1(SCC(=O)OCCOC(=O)CS1)CCCC
InChI
InChI=1S/C6H10O4S2.2C4H9.Sn/c7-5(3-11)9-1-2-10-6(8)4-12;2*1-3-4-2;/h11-12H,1-4H2;2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
OQPYRRNNMIEEPM-UHFFFAOYSA-L
Compound name
5,5-dibutyl-1,9-dioxa-4,6-dithia-5-stannacycloundecane-2,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

442.02945 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.03673 191.4
[M+Na]+ 465.01867 194.5
[M-H]- 441.02217 191.4
[M+NH4]+ 460.06327 201.5
[M+K]+ 480.99261 193.4
[M+H-H2O]+ 425.02671 188.4
[M+HCOO]- 487.02765 195.8
[M+CH3COO]- 501.04330 204.3
[M+Na-2H]- 463.00412 188.6
[M]+ 442.02890 191.6
[M]- 442.03000 191.6
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.