CID 5356761

4,6-cinnolinedithiol

Structural Information

Molecular Formula
C8H6N2S2
SMILES
C1=CC2=C(C=C1S)C(=S)C=NN2
InChI
InChI=1S/C8H6N2S2/c11-5-1-2-7-6(3-5)8(12)4-9-10-7/h1-4,11H,(H,10,12)
InChIKey
GUHCAUVWTGZWOL-UHFFFAOYSA-N
Compound name
6-sulfanyl-1H-cinnoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99724 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00452 132.0
[M+Na]+ 216.98646 143.8
[M-H]- 192.98996 133.1
[M+NH4]+ 212.03106 150.6
[M+K]+ 232.96040 137.2
[M+H-H2O]+ 176.99450 126.5
[M+HCOO]- 238.99544 142.3
[M+CH3COO]- 253.01109 144.8
[M+Na-2H]- 214.97191 136.8
[M]+ 193.99669 132.8
[M]- 193.99779 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.