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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe