CID 1481296

147920-37-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

216.0535 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06078 143.3
[M+Na]+ 239.04272 152.8
[M-H]- 215.04622 146.8
[M+NH4]+ 234.08732 158.2
[M+K]+ 255.01666 149.2
[M+H-H2O]+ 199.05076 135.0
[M+HCOO]- 261.05170 164.5
[M+CH3COO]- 275.06735 183.6
[M+Na-2H]- 237.02817 150.0
[M]+ 216.05295 143.5
[M]- 216.05405 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

literature stripe

Patent stripe

patents stripe