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: 17
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]+	167.042676	129.5
[M+Na]+	189.024618	138.0
[M-H]-	165.028124	125.1
[M+NH4]+	184.069223	146.7
[M+K]+	204.998558	135.4
[M+H-H2O]+	149.032660	120.9
[M+HCOO]-	211.033601	144.0
[M+CH3COO]-	225.049251	172.9
[M+Na-2H]-	187.010066	135.5
[M]+	166.03485142	121.2
[M]-	166.03594858	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe