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]+ 320.94982 159.5
[M+Na]+ 342.93176 172.3
[M-H]- 318.93526 163.6
[M+NH4]+ 337.97636 172.8
[M+K]+ 358.90570 165.9
[M+H-H2O]+ 302.93980 153.8
[M+HCOO]- 364.94074 166.1
[M+CH3COO]- 378.95639 196.1
[M+Na-2H]- 340.91721 163.4
[M]+ 319.94199 165.9
[M]- 319.94309 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.