CID 168002

Vd 846

Structural Information

Molecular Formula

C₆H₄N₂O₂S₂

SMILES

C1=C2C(=C(C(=O)N2)NC=O)SS1

InChI

InChI=1S/C6H4N2O2S2/c9-2-7-4-5-3(1-11-12-5)8-6(4)10/h1-2H,(H,7,9)(H,8,10)

InChIKey

GXEYRDFCNZTIHI-UHFFFAOYSA-N

Compound name

N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 199.97142 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]+	200.97870	136.2
[M+Na]+	222.96064	149.2
[M-H]-	198.96414	139.9
[M+NH4]+	218.00524	159.2
[M+K]+	238.93458	144.5
[M+H-H2O]+	182.96868	132.3
[M+HCOO]-	244.96962	152.9
[M+CH3COO]-	258.98527	150.7
[M+Na-2H]-	220.94609	138.7
[M]+	199.97087	140.9
[M]-	199.97197	140.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.