CID 133055304

6-chloro-4-(trifluoromethyl)pyridazin-3-ol

Structural Information

Molecular Formula

C₅H₂ClF₃N₂O

SMILES

C1=C(C(=O)NN=C1Cl)C(F)(F)F

InChI

InChI=1S/C5H2ClF3N2O/c6-3-1-2(5(7,8)9)4(12)11-10-3/h1H,(H,11,12)

InChIKey

QWYYINLSOLYYKF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 197.98077 Da
Monoisotopic Mass: 1.2
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]+	198.98805	129.7
[M+Na]+	220.96999	141.8
[M-H]-	196.97349	126.1
[M+NH4]+	216.01459	146.9
[M+K]+	236.94393	136.8
[M+H-H2O]+	180.97803	121.8
[M+HCOO]-	242.97897	142.4
[M+CH3COO]-	256.99462	177.3
[M+Na-2H]-	218.95544	136.6
[M]+	197.98022	126.5
[M]-	197.98132	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe