CID 59233382

1073525-72-0

Structural Information

Molecular Formula

C₆H₄BrF₃N₂O

SMILES

COC1=CC(=NN=C1Br)C(F)(F)F

InChI

InChI=1S/C6H4BrF3N2O/c1-13-3-2-4(6(8,9)10)11-12-5(3)7/h2H,1H3

InChIKey

JGWBKZNNGYJBNW-UHFFFAOYSA-N

Compound name

3-bromo-4-methoxy-6-(trifluoromethyl)pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 255.9459 Da
Monoisotopic Mass: 1.8
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]+	256.953176	142.6
[M+Na]+	278.935118	156.7
[M-H]-	254.938624	143.4
[M+NH4]+	273.979723	161.2
[M+K]+	294.909058	145.7
[M+H-H2O]+	238.943160	139.9
[M+HCOO]-	300.944101	158.8
[M+CH3COO]-	314.959751	190.0
[M+Na-2H]-	276.920566	150.6
[M]+	255.94535142	159.2
[M]-	255.94644858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe