CID 20841414

71850-72-1

Structural Information

Molecular Formula
C24H33O12Sb
SMILES
CCCCOC(=O)/C=C\C(=O)O[Sb](OC(=O)/C=C\C(=O)OCCCC)OC(=O)/C=C\C(=O)OCCCC
InChI
InChI=1S/3C8H12O4.Sb/c3*1-2-3-6-12-8(11)5-4-7(9)10;/h3*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;+3/p-3/b3*5-4-;
InChIKey
UWAMGQKEHUQPTG-VNGPFPIXSA-K
Compound name
4-O-bis[[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy]stibanyl 1-O-butyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.101 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.10828 251.9
[M+Na]+ 657.09022 262.1
[M-H]- 633.09372 258.3
[M+NH4]+ 652.13482 270.8
[M+K]+ 673.06416 257.5
[M+H-H2O]+ 617.09826 257.5
[M+HCOO]- 679.09920 255.5
[M+CH3COO]- 693.11485 243.8
[M+Na-2H]- 655.07567 241.6
[M]+ 634.10045 251.6
[M]- 634.10155 251.6
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.