CID 46311531

5-bromo-2-(difluoromethoxy)-3-fluoropyridine

Structural Information

Molecular Formula

C₆H₃BrF₃NO

SMILES

C1=C(C=NC(=C1F)OC(F)F)Br

InChI

InChI=1S/C6H3BrF3NO/c7-3-1-4(8)5(11-2-3)12-6(9)10/h1-2,6H

InChIKey

MEOKCSLNZFBSEM-UHFFFAOYSA-N

Compound name

5-bromo-2-(difluoromethoxy)-3-fluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 240.93501 Da
Monoisotopic Mass: 2.9
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]+	241.94229	138.0
[M+Na]+	263.92423	151.3
[M-H]-	239.92773	139.9
[M+NH4]+	258.96883	158.1
[M+K]+	279.89817	140.6
[M+H-H2O]+	223.93227	135.5
[M+HCOO]-	285.93321	156.0
[M+CH3COO]-	299.94886	188.5
[M+Na-2H]-	261.90968	144.3
[M]+	240.93446	154.1
[M]-	240.93556	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe