CID 40488770

Ethyl (3-(4-fluorophenyl)-6-oxo-1(6h)-pyridazinyl)acetate

Structural Information

Molecular Formula
C14H13FN2O3
SMILES
CCOC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H13FN2O3/c1-2-20-14(19)9-17-13(18)8-7-12(16-17)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3
InChIKey
AGBHKJYFUWNBDX-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09103 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09831 159.5
[M+Na]+ 299.08025 169.1
[M-H]- 275.08375 162.7
[M+NH4]+ 294.12485 172.9
[M+K]+ 315.05419 165.2
[M+H-H2O]+ 259.08829 149.4
[M+HCOO]- 321.08923 180.1
[M+CH3COO]- 335.10488 198.3
[M+Na-2H]- 297.06570 163.7
[M]+ 276.09048 161.8
[M]- 276.09158 161.8
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.