CID 46318007

1211526-50-9

Structural Information

Molecular Formula

C₆H₃BrF₃NO

SMILES

C1=CC(=NC(=C1O)Br)C(F)(F)F

InChI

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

InChIKey

HMOAJSVNWQZSAL-UHFFFAOYSA-N

Compound name

2-bromo-6-(trifluoromethyl)pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.93501 Da
Monoisotopic Mass: 2.4
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	150.3
[M+Na]+	263.92423	151.8
[M+NH4]+	258.96883	152.7
[M+K]+	279.89817	152.2
[M-H]-	239.92773	145.9
[M+Na-2H]-	261.90968	151.3
[M]+	240.93446	148.0
[M]-	240.93556	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.