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 192.7
[M+Na]+ 504.92574 193.3
[M-H]- 480.92924 184.9
[M+NH4]+ 499.97034 202.7
[M+K]+ 520.89968 186.7
[M+H-H2O]+ 464.93378 184.7
[M+HCOO]- 526.93472 189.5
[M+CH3COO]- 540.95037 197.3
[M+Na-2H]- 502.91119 185.4
[M]+ 481.93597 194.1
[M]- 481.93707 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