CID 132398738

Sodium 6-(1h-1,2,4-triazol-1-yl)pyridazine-3-sulfinate

Structural Information

Molecular Formula
C6H5N5O2S
SMILES
C1=CC(=NN=C1N2C=NC=N2)S(=O)O
InChI
InChI=1S/C6H5N5O2S/c12-14(13)6-2-1-5(9-10-6)11-4-7-3-8-11/h1-4H,(H,12,13)
InChIKey
WRJBWGIEIPVAKY-UHFFFAOYSA-N
Compound name
6-(1,2,4-triazol-1-yl)pyridazine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0164 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.02368 140.3
[M+Na]+ 234.00562 151.5
[M-H]- 210.00912 140.5
[M+NH4]+ 229.05022 153.9
[M+K]+ 249.97956 148.0
[M+H-H2O]+ 194.01366 131.9
[M+HCOO]- 256.01460 154.7
[M+CH3COO]- 270.03025 152.3
[M+Na-2H]- 231.99107 143.9
[M]+ 211.01585 142.2
[M]- 211.01695 142.2
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.