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

0
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]+ 320.949816 159.5
[M+Na]+ 342.931758 172.3
[M-H]- 318.935264 163.6
[M+NH4]+ 337.976363 172.8
[M+K]+ 358.905698 165.9
[M+H-H2O]+ 302.939800 153.8
[M+HCOO]- 364.940741 166.1
[M+CH3COO]- 378.956391 196.1
[M+Na-2H]- 340.917206 163.4
[M]+ 319.94199142 165.9
[M]- 319.94308858 165.9
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.