CID 29573

((bis((carboxymethyl)thio)bismuthino)thio)acetic acid

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

11
Patents

481.93652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.94380 185.8
[M+Na]+ 504.92574 187.7
[M+NH4]+ 499.97034 188.6
[M+K]+ 520.89968 181.1
[M-H]- 480.92924 180.0
[M+Na-2H]- 502.91119 180.2
[M]+ 481.93597 184.9
[M]- 481.93707 184.9
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