CID 7159

Thioquinox

Structural Information

Molecular Formula
C9H4N2S3
SMILES
C1=CC=C2C(=C1)N=C3C(=N2)SC(=S)S3
InChI
InChI=1S/C9H4N2S3/c12-9-13-7-8(14-9)11-6-4-2-1-3-5(6)10-7/h1-4H
InChIKey
ILERPRJWJPJZDN-UHFFFAOYSA-N
Compound name
[1,3]dithiolo[4,5-b]quinoxaline-2-thione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

8227
Patents

235.95366 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.96094 140.3
[M+Na]+ 258.94288 155.5
[M-H]- 234.94638 143.9
[M+NH4]+ 253.98748 161.0
[M+K]+ 274.91682 148.2
[M+H-H2O]+ 218.95092 136.4
[M+HCOO]- 280.95186 148.7
[M+CH3COO]- 294.96751 153.9
[M+Na-2H]- 256.92833 145.3
[M]+ 235.95311 144.8
[M]- 235.95421 144.8
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