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 164.7
[M+Na]+ 321.08215 175.8
[M-H]- 297.08565 165.7
[M+NH4]+ 316.12675 177.7
[M+K]+ 337.05609 171.0
[M+H-H2O]+ 281.09019 153.5
[M+HCOO]- 343.09113 182.0
[M+CH3COO]- 357.10678 203.2
[M+Na-2H]- 319.06760 168.7
[M]+ 298.09238 164.5
[M]- 298.09348 164.5
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.