CID 53428795

Ethyl 4,6-dichloropyridazine-3-carboxylate

Structural Information

Molecular Formula
C7H6Cl2N2O2
SMILES
CCOC(=O)C1=NN=C(C=C1Cl)Cl
InChI
InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)6-4(8)3-5(9)10-11-6/h3H,2H2,1H3
InChIKey
MOWPWJUYSRHMHS-UHFFFAOYSA-N
Compound name
ethyl 4,6-dichloropyridazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

219.98064 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98792 137.6
[M+Na]+ 242.96986 148.7
[M-H]- 218.97336 138.4
[M+NH4]+ 238.01446 155.0
[M+K]+ 258.94380 144.7
[M+H-H2O]+ 202.97790 131.9
[M+HCOO]- 264.97884 150.0
[M+CH3COO]- 278.99449 184.9
[M+Na-2H]- 240.95531 143.2
[M]+ 219.98009 142.7
[M]- 219.98119 142.7
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