CID 342690

1,2-dithiolo(3,4-b)pyridin-3-one

Structural Information

Molecular Formula
C6H3NOS2
SMILES
C1=CC2=C(N=C1)SSC2=O
InChI
InChI=1S/C6H3NOS2/c8-6-4-2-1-3-7-5(4)9-10-6/h1-3H
InChIKey
ZFEQZSUEICITLV-UHFFFAOYSA-N
Compound name
dithiolo[3,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

168.9656 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.97288 126.2
[M+Na]+ 191.95482 139.7
[M-H]- 167.95832 131.0
[M+NH4]+ 186.99942 149.7
[M+K]+ 207.92876 135.7
[M+H-H2O]+ 151.96286 121.8
[M+HCOO]- 213.96380 142.5
[M+CH3COO]- 227.97945 141.7
[M+Na-2H]- 189.94027 131.2
[M]+ 168.96505 131.3
[M]- 168.96615 131.3
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.