CID 3020150

1h-imidazole-4-carbodithioic acid

Structural Information

Molecular Formula

C₄H₄N₂S₂

SMILES

C1=C(NC=N1)C(=S)S

InChI

InChI=1S/C4H4N2S2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)

InChIKey

RAUHREXYGRKIOJ-UHFFFAOYSA-N

Compound name

1H-imidazole-5-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 104
Patents: 143.9816 Da
Monoisotopic Mass: 1.0
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]+	144.98888	126.8
[M+Na]+	166.97082	137.1
[M+NH4]+	162.01542	135.5
[M+K]+	182.94476	129.9
[M-H]-	142.97432	127.2
[M+Na-2H]-	164.95627	130.4
[M]+	143.98105	129.1
[M]-	143.98215	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe