CID 54690700

3,4,6-pyridazinetrithiol

Structural Information

Molecular Formula
C4H4N2S3
SMILES
C1=C(C(=S)NNC1=S)S
InChI
InChI=1S/C4H4N2S3/c7-2-1-3(8)5-6-4(2)9/h1H,(H,6,9)(H2,5,7,8)
InChIKey
YFZIEYJWTOQZHA-UHFFFAOYSA-N
Compound name
4-sulfanyl-1,2-dihydropyridazine-3,6-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

175.95366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.96094 125.8
[M+Na]+ 198.94288 137.0
[M-H]- 174.94638 124.2
[M+NH4]+ 193.98748 142.8
[M+K]+ 214.91682 128.1
[M+H-H2O]+ 158.95092 120.9
[M+HCOO]- 220.95186 129.6
[M+CH3COO]- 234.96751 137.2
[M+Na-2H]- 196.92833 126.4
[M]+ 175.95311 122.6
[M]- 175.95421 122.6
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

patents stripe