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

20
Patents

232.0484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.055676 146.8
[M+Na]+ 255.037618 156.5
[M-H]- 231.041124 149.2
[M+NH4]+ 250.082223 160.5
[M+K]+ 271.011558 152.8
[M+H-H2O]+ 215.045660 138.8
[M+HCOO]- 277.046601 166.6
[M+CH3COO]- 291.062251 184.7
[M+Na-2H]- 253.023066 152.3
[M]+ 232.04785142 147.0
[M]- 232.04894858 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