CID 1201377

5147-74-0

Structural Information

Molecular Formula

C₄H₂N₂S₃

SMILES

C(#N)C1=C(SSC1=S)N

InChI

InChI=1S/C4H2N2S3/c5-1-2-3(6)8-9-4(2)7/h6H2

InChIKey

IXPKEXWZTKXQBC-UHFFFAOYSA-N

Compound name

3-amino-5-sulfanylidenedithiole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.93802 Da
Monoisotopic Mass: 1.2
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]+	174.94530	143.4
[M+Na]+	196.92724	156.6
[M-H]-	172.93074	148.0
[M+NH4]+	191.97184	163.8
[M+K]+	212.90118	151.8
[M+H-H2O]+	156.93528	132.6
[M+HCOO]-	218.93622	150.3
[M+CH3COO]-	232.95187	155.2
[M+Na-2H]-	194.91269	142.4
[M]+	173.93747	138.7
[M]-	173.93857	138.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.