CID 44153415

71850-88-9

Structural Information

Molecular Formula
C28H53O6Sb
SMILES
CC(C)CCCCCOC(=O)/C=C\C(=O)O[Sb](OCCCCCC(C)C)OCCCCCC(C)C
InChI
InChI=1S/C12H20O4.2C8H17O.Sb/c1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-8(2)6-4-3-5-7-9;/h7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*8H,3-7H2,1-2H3;/q;2*-1;+3/p-1/b8-7-;;;
InChIKey
LFLQRJWTRNXPIM-IRYVOTIRSA-M
Compound name
4-O-[bis(6-methylheptoxy)stibanyl] 1-O-(6-methylheptyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.288 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.29528 243.1
[M+Na]+ 629.27722 244.0
[M+NH4]+ 624.32182 247.7
[M+K]+ 645.25116 243.6
[M-H]- 605.28072 234.9
[M+Na-2H]- 627.26267 245.0
[M]+ 606.28745 241.3
[M]- 606.28855 241.3
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.