CID 10610059

221195-97-7

Structural Information

Molecular Formula

C₁₁H₇F₃N₂O

SMILES

C1=CC=C(C=C1)C2=NNC(=O)C(=C2)C(F)(F)F

InChI

InChI=1S/C11H7F3N2O/c12-11(13,14)8-6-9(15-16-10(8)17)7-4-2-1-3-5-7/h1-6H,(H,16,17)

InChIKey

UHVAXGANCIBPTG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.05104 Da
Monoisotopic Mass: 2.2
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]+	241.05832	147.8
[M+Na]+	263.04026	158.1
[M-H]-	239.04376	147.2
[M+NH4]+	258.08486	162.0
[M+K]+	279.01420	152.5
[M+H-H2O]+	223.04830	137.3
[M+HCOO]-	285.04924	164.5
[M+CH3COO]-	299.06489	187.2
[M+Na-2H]-	261.02571	154.4
[M]+	240.05049	142.5
[M]-	240.05159	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe