CID 3073145

146824-75-1

Structural Information

Molecular Formula
C13H11F3N2O2
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OC
InChI
InChI=1S/C13H11F3N2O2/c1-8-6-11(19)12(20-2)17-18(8)10-5-3-4-9(7-10)13(14,15)16/h3-7H,1-2H3
InChIKey
KXRJCNLYMUVISK-UHFFFAOYSA-N
Compound name
3-methoxy-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.07727 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08455 165.3
[M+Na]+ 307.06649 176.9
[M+NH4]+ 302.11109 169.7
[M+K]+ 323.04043 171.3
[M-H]- 283.06999 163.1
[M+Na-2H]- 305.05194 170.8
[M]+ 284.07672 166.1
[M]- 284.07782 166.1
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

patents stripe