CID 11435269

6-methyl-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula

C₆H₅F₃N₂O

SMILES

CC1=NNC(=O)C(=C1)C(F)(F)F

InChI

InChI=1S/C6H5F3N2O/c1-3-2-4(6(7,8)9)5(12)11-10-3/h2H,1H3,(H,11,12)

InChIKey

ZLPLEWTVXFKICX-UHFFFAOYSA-N

Compound name

3-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 178.0354 Da
Monoisotopic Mass: 0.5
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]+	179.04268	137.2
[M+Na]+	201.02462	146.9
[M+NH4]+	196.06922	141.8
[M+K]+	216.99856	142.7
[M-H]-	177.02812	132.5
[M+Na-2H]-	199.01007	141.1
[M]+	178.03485	136.9
[M]-	178.03595	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe