CID 71366567

50499-84-8

Structural Information

Molecular Formula

C₃H₂N₂OS₃

SMILES

C(=O)NC1=NC(=S)SS1

InChI

InChI=1S/C3H2N2OS3/c6-1-4-2-5-3(7)9-8-2/h1H,(H,4,5,6,7)

InChIKey

UIZFBDXFRMQNQK-UHFFFAOYSA-N

Compound name

N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.93292 Da
Monoisotopic Mass: 0.8
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]+	178.94020	132.3
[M+Na]+	200.92214	141.4
[M+NH4]+	195.96674	141.0
[M+K]+	216.89608	132.6
[M-H]-	176.92564	133.9
[M+Na-2H]-	198.90759	135.1
[M]+	177.93237	135.1
[M]-	177.93347	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.