CID 16771713

6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C=CC(=N2)C(=O)O
InChI
InChI=1S/C11H8N2O3/c14-10-7-6-9(11(15)16)12-13(10)8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChIKey
AAVYIKIZGPTVFN-UHFFFAOYSA-N
Compound name
6-oxo-1-phenylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

216.0535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.060776 143.3
[M+Na]+ 239.042718 152.8
[M-H]- 215.046224 146.8
[M+NH4]+ 234.087323 158.2
[M+K]+ 255.016658 149.2
[M+H-H2O]+ 199.050760 135.0
[M+HCOO]- 261.051701 164.5
[M+CH3COO]- 275.067351 183.6
[M+Na-2H]- 237.028166 150.0
[M]+ 216.05295142 143.5
[M]- 216.05404858 143.5
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