CID 130565588

Refchem:499035

Structural Information

Molecular Formula

C₅H₃BrF₂N₂O

SMILES

C1=CC(=NN=C1OC(F)F)Br

InChI

InChI=1S/C5H3BrF2N2O/c6-3-1-2-4(10-9-3)11-5(7)8/h1-2,5H

InChIKey

HDPJNULWCDAUNA-UHFFFAOYSA-N

Compound name

3-bromo-6-(difluoromethoxy)pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 223.93968 Da
Monoisotopic Mass: 2.1
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]+	224.94696	132.8
[M+Na]+	246.92890	145.7
[M-H]-	222.93240	134.5
[M+NH4]+	241.97350	152.2
[M+K]+	262.90284	135.5
[M+H-H2O]+	206.93694	130.6
[M+HCOO]-	268.93788	151.0
[M+CH3COO]-	282.95353	184.5
[M+Na-2H]-	244.91435	141.2
[M]+	223.93913	150.0
[M]-	223.94023	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe