CID 334015

6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

Structural Information

Molecular Formula
C5H3ClN2O3
SMILES
C1=C(C(=O)NN=C1Cl)C(=O)O
InChI
InChI=1S/C5H3ClN2O3/c6-3-1-2(5(10)11)4(9)8-7-3/h1H,(H,8,9)(H,10,11)
InChIKey
LIXNWFSTAHULTE-UHFFFAOYSA-N
Compound name
3-chloro-6-oxo-1H-pyridazine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

90
Patents

173.98322 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99050 127.0
[M+Na]+ 196.97244 138.0
[M-H]- 172.97594 126.1
[M+NH4]+ 192.01704 144.2
[M+K]+ 212.94638 134.0
[M+H-H2O]+ 156.98048 121.7
[M+HCOO]- 218.98142 142.7
[M+CH3COO]- 232.99707 171.0
[M+Na-2H]- 194.95789 133.4
[M]+ 173.98267 127.6
[M]- 173.98377 127.6
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