CID 16091046

221030-81-5

Structural Information

Molecular Formula

C₆H₃Br₂F₃N₂O

SMILES

C1=NN(C(=O)C(=C1Br)Br)CC(F)(F)F

InChI

InChI=1S/C6H3Br2F3N2O/c7-3-1-12-13(2-6(9,10)11)5(14)4(3)8/h1H,2H2

InChIKey

VYDCNWDRQPFXRR-UHFFFAOYSA-N

Compound name

4,5-dibromo-2-(2,2,2-trifluoroethyl)pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 333.8564 Da
Monoisotopic Mass: 2.4
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]+	334.86368	144.1
[M+Na]+	356.84562	157.6
[M-H]-	332.84912	146.6
[M+NH4]+	351.89022	160.6
[M+K]+	372.81956	141.4
[M+H-H2O]+	316.85366	150.2
[M+HCOO]-	378.85460	156.2
[M+CH3COO]-	392.87025	206.6
[M+Na-2H]-	354.83107	151.1
[M]+	333.85585	176.1
[M]-	333.85695	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe