CID 49760652

6-(trifluoromethyl)-4,5-dihydropyridazin-3(2h)-one

Structural Information

Molecular Formula

C₅H₅F₃N₂O

SMILES

C1CC(=O)NN=C1C(F)(F)F

InChI

InChI=1S/C5H5F3N2O/c6-5(7,8)3-1-2-4(11)10-9-3/h1-2H2,(H,10,11)

InChIKey

IJGACGPBDXVCGJ-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 166.0354 Da
Monoisotopic Mass: 0.4
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]+	167.04268	135.7
[M+Na]+	189.02462	143.6
[M+NH4]+	184.06922	140.3
[M+K]+	204.99856	139.7
[M-H]-	165.02812	130.6
[M+Na-2H]-	187.01007	138.4
[M]+	166.03485	134.9
[M]-	166.03595	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe