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	148.3
[M+Na]+	263.92423	150.2
[M+NH4]+	258.96883	151.0
[M+K]+	279.89817	150.2
[M-H]-	239.92773	144.6
[M+Na-2H]-	261.90968	149.8
[M]+	240.93446	146.2
[M]-	240.93556	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe