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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.084546	160.0
[M+Na]+	307.066488	171.6
[M-H]-	283.069994	161.2
[M+NH4]+	302.111093	173.6
[M+K]+	323.040428	167.0
[M+H-H2O]+	267.074530	149.0
[M+HCOO]-	329.075471	177.7
[M+CH3COO]-	343.091121	200.2
[M+Na-2H]-	305.051936	164.6
[M]+	284.07672142	159.4
[M]-	284.07781858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe