CID 29573

Bismuth thioglycolate

Structural Information

Molecular Formula
C6H9BiO6S3
SMILES
C(C(=O)O)S[Bi](SCC(=O)O)SCC(=O)O
InChI
InChI=1S/3C2H4O2S.Bi/c3*3-2(4)1-5;/h3*5H,1H2,(H,3,4);/q;;;+3/p-3
InChIKey
ZZZOTEFWAQZZOL-UHFFFAOYSA-K
Compound name
2-[bis(carboxymethylsulfanyl)bismuthanylsulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

481.93652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.943796 192.7
[M+Na]+ 504.925738 193.3
[M-H]- 480.929244 184.9
[M+NH4]+ 499.970343 202.7
[M+K]+ 520.899678 186.7
[M+H-H2O]+ 464.933780 184.7
[M+HCOO]- 526.934721 189.5
[M+CH3COO]- 540.950371 197.3
[M+Na-2H]- 502.911186 185.4
[M]+ 481.93597142 194.1
[M]- 481.93706858 194.1
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