CID 481403

3h-[1,2]dithiolo[3,4-b]pyridine-3-thione

Structural Information

Molecular Formula

SMILES

C1=CC2=C(N=C1)SSC2=S

InChI

InChI=1S/C6H3NS3/c8-6-4-2-1-3-7-5(4)9-10-6/h1-3H

InChIKey

MQBHSIJPOQETLE-UHFFFAOYSA-N

Compound name

dithiolo[3,4-b]pyridine-3-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 184.94276 Da
Monoisotopic Mass: 1.8
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]+	185.95004	129.1
[M+Na]+	207.93198	143.1
[M-H]-	183.93548	133.2
[M+NH4]+	202.97658	151.8
[M+K]+	223.90592	136.9
[M+H-H2O]+	167.94002	125.2
[M+HCOO]-	229.94096	139.2
[M+CH3COO]-	243.95661	143.5
[M+Na-2H]-	205.91743	132.5
[M]+	184.94221	132.4
[M]-	184.94331	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe