CID 8005124

4-(4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzene-1-sulfonic acid

Structural Information

Molecular Formula
C10H6Cl2N2O4S
SMILES
C1=CC(=CC=C1N2C(=O)C(=C(C=N2)Cl)Cl)S(=O)(=O)O
InChI
InChI=1S/C10H6Cl2N2O4S/c11-8-5-13-14(10(15)9(8)12)6-1-3-7(4-2-6)19(16,17)18/h1-5H,(H,16,17,18)
InChIKey
SOOASGFHGHFOEL-UHFFFAOYSA-N
Compound name
4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

319.94254 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.94982 165.9
[M+Na]+ 342.93176 181.5
[M+NH4]+ 337.97636 172.3
[M+K]+ 358.90570 173.5
[M-H]- 318.93526 166.9
[M+Na-2H]- 340.91721 172.8
[M]+ 319.94199 169.4
[M]- 319.94309 169.4
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.

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No patent data available for this compound.