CID 137952195

Sodium 6-(1h-imidazol-1-yl)pyridazine-3-sulfinate

Structural Information

Molecular Formula
C7H6N4O2S
SMILES
C1=CC(=NN=C1N2C=CN=C2)S(=O)O
InChI
InChI=1S/C7H6N4O2S/c12-14(13)7-2-1-6(9-10-7)11-4-3-8-5-11/h1-5H,(H,12,13)
InChIKey
HNLOUWDYUNFOQX-UHFFFAOYSA-N
Compound name
6-imidazol-1-ylpyridazine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.02115 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02843 140.4
[M+Na]+ 233.01037 151.2
[M-H]- 209.01387 141.8
[M+NH4]+ 228.05497 155.5
[M+K]+ 248.98431 147.7
[M+H-H2O]+ 193.01841 132.4
[M+HCOO]- 255.01935 155.9
[M+CH3COO]- 269.03500 152.8
[M+Na-2H]- 230.99582 143.7
[M]+ 210.02060 142.2
[M]- 210.02170 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.