CID 54706064

121582-62-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

232.0484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 146.8
[M+Na]+ 255.03762 156.5
[M-H]- 231.04112 149.2
[M+NH4]+ 250.08222 160.5
[M+K]+ 271.01156 152.8
[M+H-H2O]+ 215.04566 138.8
[M+HCOO]- 277.04660 166.6
[M+CH3COO]- 291.06225 184.7
[M+Na-2H]- 253.02307 152.3
[M]+ 232.04785 147.0
[M]- 232.04895 147.0
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