CID 3073147

146824-77-3

Structural Information

Molecular Formula
C14H13F3N2O2
SMILES
CCOC1=NN(C(=CC1=O)C)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H13F3N2O2/c1-3-21-13-12(20)7-9(2)19(18-13)11-6-4-5-10(8-11)14(15,16)17/h4-8H,3H2,1-2H3
InChIKey
JLIJWYCKJBEEFJ-UHFFFAOYSA-N
Compound name
3-ethoxy-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09293 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10021 169.5
[M+Na]+ 321.08215 180.9
[M+NH4]+ 316.12675 173.7
[M+K]+ 337.05609 175.1
[M-H]- 297.08565 167.3
[M+Na-2H]- 319.06760 174.8
[M]+ 298.09238 170.3
[M]- 298.09348 170.3
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.