CID 433804

3,6-dichloropyridazine-4-carboxylic acid

Structural Information

Molecular Formula
C5H2Cl2N2O2
SMILES
C1=C(C(=NN=C1Cl)Cl)C(=O)O
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H,10,11)
InChIKey
FRCXPDWDMAYSCE-UHFFFAOYSA-N
Compound name
3,6-dichloropyridazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

556
Patents

191.94933 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.95661 131.3
[M+Na]+ 214.93855 145.8
[M+NH4]+ 209.98315 138.9
[M+K]+ 230.91249 140.1
[M-H]- 190.94205 131.1
[M+Na-2H]- 212.92400 137.9
[M]+ 191.94878 133.8
[M]- 191.94988 133.8
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