CID 273108

Nsc118051

Structural Information

Molecular Formula
C15H30BiN3S6
SMILES
CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC
InChI
InChI=1S/3C5H11NS2.Bi/c3*1-3-6(4-2)5(7)8;/h3*3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3
InChIKey
YTLFVJABOBHSFS-UHFFFAOYSA-K
Compound name
bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

653.0568 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.06408 239.2
[M+Na]+ 676.04602 235.4
[M-H]- 652.04952 232.4
[M+NH4]+ 671.09062 243.0
[M+K]+ 692.01996 220.9
[M+H-H2O]+ 636.05406 226.4
[M+HCOO]- 698.05500 220.1
[M+CH3COO]- 712.07065 247.9
[M+Na-2H]- 674.03147 233.6
[M]+ 653.05625 230.4
[M]- 653.05735 230.4
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.