CID 560564

Bismate

Structural Information

Molecular Formula
C9H18BiN3S6
SMILES
CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C
InChI
InChI=1S/3C3H7NS2.Bi/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
InChIKey
USBHFGNOYVOTON-UHFFFAOYSA-K
Compound name
bis(dimethylcarbamothioylsulfanyl)bismuthanyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

16
Patents

568.9629 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.97018 221.7
[M+Na]+ 591.95212 220.0
[M-H]- 567.95562 215.9
[M+NH4]+ 586.99672 228.1
[M+K]+ 607.92606 206.5
[M+H-H2O]+ 551.96016 209.6
[M+HCOO]- 613.96110 203.7
[M+CH3COO]- 627.97675 234.6
[M+Na-2H]- 589.93757 217.1
[M]+ 568.96235 211.2
[M]- 568.96345 211.2
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.