CID 15510027

244268-34-6

Structural Information

Molecular Formula

C₅H₃F₃N₂O

SMILES

C1=C(C=NNC1=O)C(F)(F)F

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-9-2-3/h1-2H,(H,10,11)

InChIKey

QWZSPFRUVNDATO-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 164.01974 Da
Monoisotopic Mass: 0.2
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]+	165.02702	125.9
[M+Na]+	187.00896	136.5
[M-H]-	163.01246	122.3
[M+NH4]+	182.05356	143.4
[M+K]+	202.98290	133.3
[M+H-H2O]+	147.01700	117.3
[M+HCOO]-	209.01794	143.3
[M+CH3COO]-	223.03359	172.2
[M+Na-2H]-	184.99441	133.9
[M]+	164.01919	120.5
[M]-	164.02029	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe