CID 16684303

27253-22-1

Structural Information

Molecular Formula
C30H57O6S3Sb
SMILES
CC(C)CCCCCSCC(=O)O[Sb](OC(=O)CSCCCCCC(C)C)OC(=O)CSCCCCCC(C)C
InChI
InChI=1S/3C10H20O2S.Sb/c3*1-9(2)6-4-3-5-7-13-8-10(11)12;/h3*9H,3-8H2,1-2H3,(H,11,12);/q;;;+3/p-3
InChIKey
GZVYQBFTVZVHAI-UHFFFAOYSA-K
Compound name
bis[[2-(6-methylheptylsulfanyl)acetyl]oxy]stibanyl 2-(6-methylheptylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

730.23553 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.24281 297.6
[M+Na]+ 753.22475 299.5
[M-H]- 729.22825 282.9
[M+NH4]+ 748.26935 305.9
[M+K]+ 769.19869 304.3
[M+H-H2O]+ 713.23279 299.5
[M+HCOO]- 775.23373 289.6
[M+CH3COO]- 789.24938 264.9
[M+Na-2H]- 751.21020 279.3
[M]+ 730.23498 299.4
[M]- 730.23608 299.4
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