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

2
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

literature stripe

Patent stripe

patents stripe