CID 3001052

Bis(thiocarbazoyl)disulfide

Structural Information

Molecular Formula

C₂H₆N₄S₄

SMILES

C(=S)(NN)SSC(=S)NN

InChI

InChI=1S/C2H6N4S4/c3-5-1(7)9-10-2(8)6-4/h3-4H2,(H,5,7)(H,6,8)

InChIKey

HYJZONSIDDWXKF-UHFFFAOYSA-N

Compound name

aminocarbamothioylsulfanyl N-aminocarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 213.94753 Da
Monoisotopic Mass: -0.2
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]+	214.95481	137.9
[M+Na]+	236.93675	141.9
[M-H]-	212.94025	133.6
[M+NH4]+	231.98135	152.7
[M+K]+	252.91069	131.9
[M+H-H2O]+	196.94479	129.9
[M+HCOO]-	258.94573	137.4
[M+CH3COO]-	272.96138	191.5
[M+Na-2H]-	234.92220	137.8
[M]+	213.94698	128.6
[M]-	213.94808	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe