CID 16682971

1,3-dioxa-7,9-dithia-2-stannacyclododecan-4,12-dione, 2,2-dibutyl-

Structural Information

Molecular Formula
C15H28O4S2Sn
SMILES
CCCC[Sn]1(OC(=O)CCSCSCCC(=O)O1)CCCC
InChI
InChI=1S/C7H12O4S2.2C4H9.Sn/c8-6(9)1-3-12-5-13-4-2-7(10)11;2*1-3-4-2;/h1-5H2,(H,8,9)(H,10,11);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
YQINHZBWLUMWSO-UHFFFAOYSA-L
Compound name
2,2-dibutyl-1,3-dioxa-7,9-dithia-2-stannacyclododecane-4,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.0451 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.05238 195.6
[M+Na]+ 479.03432 198.1
[M-H]- 455.03782 195.7
[M+NH4]+ 474.07892 205.0
[M+K]+ 495.00826 196.9
[M+H-H2O]+ 439.04236 192.6
[M+HCOO]- 501.04330 199.3
[M+CH3COO]- 515.05895 206.2
[M+Na-2H]- 477.01977 192.3
[M]+ 456.04455 195.0
[M]- 456.04565 195.0
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.