CID 3114520

3-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC(=CC(=C1)N2C(=O)C=CC(=O)N2)C(=O)O
InChI
InChI=1S/C11H8N2O4/c14-9-4-5-10(15)13(12-9)8-3-1-2-7(6-8)11(16)17/h1-6H,(H,12,14)(H,16,17)
InChIKey
HSOJCESKSZGRMS-UHFFFAOYSA-N
Compound name
3-(3,6-dioxo-1H-pyridazin-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

232.0484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 147.6
[M+Na]+ 255.03762 161.5
[M+NH4]+ 250.08222 153.0
[M+K]+ 271.01156 156.9
[M-H]- 231.04112 148.2
[M+Na-2H]- 253.02307 154.7
[M]+ 232.04785 149.5
[M]- 232.04895 149.5
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

patents stripe