CID 167731803

Ethyl 3-chloro-5-(trifluoromethyl)pyridazine-4-carboxylate

Structural Information

Molecular Formula
C8H6ClF3N2O2
SMILES
CCOC(=O)C1=C(N=NC=C1C(F)(F)F)Cl
InChI
InChI=1S/C8H6ClF3N2O2/c1-2-16-7(15)5-4(8(10,11)12)3-13-14-6(5)9/h3H,2H2,1H3
InChIKey
HOKYNNYDXQXWMY-UHFFFAOYSA-N
Compound name
ethyl 3-chloro-5-(trifluoromethyl)pyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00699 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.014266 145.0
[M+Na]+ 276.996208 156.1
[M-H]- 252.999714 142.6
[M+NH4]+ 272.040813 160.6
[M+K]+ 292.970148 152.3
[M+H-H2O]+ 237.004250 136.2
[M+HCOO]- 299.005191 157.6
[M+CH3COO]- 313.020841 191.0
[M+Na-2H]- 274.981656 149.9
[M]+ 254.00644142 145.7
[M]- 254.00753858 145.7
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

No patent data available for this compound.