CID 154814218

2551116-99-3

Structural Information

Molecular Formula

C₄H₂BrFN₂O

SMILES

C1=C(C(=O)NN=C1F)Br

InChI

InChI=1S/C4H2BrFN2O/c5-2-1-3(6)7-8-4(2)9/h1H,(H,8,9)

InChIKey

NEPJCZXSFQGABA-UHFFFAOYSA-N

Compound name

5-bromo-3-fluoro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.93346 Da
Monoisotopic Mass: 0.7
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]+	192.94074	123.8
[M+Na]+	214.92268	138.1
[M-H]-	190.92618	125.9
[M+NH4]+	209.96728	144.1
[M+K]+	230.89662	126.6
[M+H-H2O]+	174.93072	123.1
[M+HCOO]-	236.93166	143.0
[M+CH3COO]-	250.94731	176.2
[M+Na-2H]-	212.90813	133.4
[M]+	191.93291	140.3
[M]-	191.93401	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.