CID 15630343

Anthiolimine

Structural Information

Molecular Formula
C12H15O12S3Sb
SMILES
C(C(C(=O)O)S[Sb](SC(CC(=O)O)C(=O)O)SC(CC(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/3C4H6O4S.Sb/c3*5-3(6)1-2(9)4(7)8;/h3*2,9H,1H2,(H,5,6)(H,7,8);/q;;;+3/p-3
InChIKey
RIQPOGDQSKYVFD-UHFFFAOYSA-K
Compound name
2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

205
Patents

567.8764 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.88368 237.9
[M+Na]+ 590.86562 236.0
[M-H]- 566.86912 234.8
[M+NH4]+ 585.91022 242.2
[M+K]+ 606.83956 235.2
[M+H-H2O]+ 550.87366 236.9
[M+HCOO]- 612.87460 222.2
[M+CH3COO]- 626.89025 221.2
[M+Na-2H]- 588.85107 223.7
[M]+ 567.87585 234.2
[M]- 567.87695 234.2
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.