CID 3073148

4(1h)-pyridazinone, 6-methyl-3-(2-propenyloxy)-1-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C15H13F3N2O2
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OCC=C
InChI
InChI=1S/C15H13F3N2O2/c1-3-7-22-14-13(21)8-10(2)20(19-14)12-6-4-5-11(9-12)15(16,17)18/h3-6,8-9H,1,7H2,2H3
InChIKey
MVNYDEJGIJIUPA-UHFFFAOYSA-N
Compound name
6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09293 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10021 168.0
[M+Na]+ 333.08215 179.0
[M-H]- 309.08565 168.9
[M+NH4]+ 328.12675 180.5
[M+K]+ 349.05609 173.4
[M+H-H2O]+ 293.09019 156.7
[M+HCOO]- 355.09113 185.2
[M+CH3COO]- 369.10678 205.4
[M+Na-2H]- 331.06760 171.5
[M]+ 310.09238 167.4
[M]- 310.09348 167.4
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.