CID 3073144

146824-74-0

Structural Information

Molecular Formula

C₁₂H₉F₃N₂O₂

SMILES

CC1=CC(=O)C(=O)NN1C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2/c1-7-5-10(18)11(19)16-17(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,19)

InChIKey

WRKXBGZHBMGSON-UHFFFAOYSA-N

Compound name

3-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyridazine-5,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 270.0616 Da
Monoisotopic Mass: 2.6
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]+	271.068876	155.0
[M+Na]+	293.050818	166.9
[M-H]-	269.054324	155.1
[M+NH4]+	288.095423	168.5
[M+K]+	309.024758	161.1
[M+H-H2O]+	253.058860	144.7
[M+HCOO]-	315.059801	171.7
[M+CH3COO]-	329.075451	194.0
[M+Na-2H]-	291.036266	159.6
[M]+	270.06105142	151.6
[M]-	270.06214858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe