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

1
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

patents stripe