CID 118811933

4-bromo-2-(difluoromethoxy)-6-fluoropyridine

Structural Information

Molecular Formula

C₆H₃BrF₃NO

SMILES

C1=C(C=C(N=C1OC(F)F)F)Br

InChI

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

InChIKey

BGIGZXIOMBPXDA-UHFFFAOYSA-N

Compound name

4-bromo-2-(difluoromethoxy)-6-fluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.93501 Da
Monoisotopic Mass: 3.2
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]+	241.942286	138.0
[M+Na]+	263.924228	151.3
[M-H]-	239.927734	139.9
[M+NH4]+	258.968833	158.1
[M+K]+	279.898168	140.6
[M+H-H2O]+	223.932270	135.5
[M+HCOO]-	285.933211	156.0
[M+CH3COO]-	299.948861	188.5
[M+Na-2H]-	261.909676	144.3
[M]+	240.93446142	154.1
[M]-	240.93555858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.