CID 45789785

886371-77-3

Structural Information

Molecular Formula

C₆H₃BrF₃NO

SMILES

C1=CC(=NC=C1Br)OC(F)(F)F

InChI

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

InChIKey

SQDAZGGFXASXDW-UHFFFAOYSA-N

Compound name

5-bromo-2-(trifluoromethoxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96012
Patents: 240.93501 Da
Monoisotopic Mass: 3.1
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]+	241.94229	149.6
[M+Na]+	263.92423	151.3
[M+NH4]+	258.96883	152.3
[M+K]+	279.89817	151.3
[M-H]-	239.92773	145.6
[M+Na-2H]-	261.90968	151.4
[M]+	240.93446	147.5
[M]-	240.93556	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe