CID 481403

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

Structural Information

Molecular Formula
C6H3NS3
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

0
Patents

184.94276 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.