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	140.2
[M+Na]+	263.92423	153.8
[M-H]-	239.92773	141.0
[M+NH4]+	258.96883	159.8
[M+K]+	279.89817	142.0
[M+H-H2O]+	223.93227	138.3
[M+HCOO]-	285.93321	156.1
[M+CH3COO]-	299.94886	184.9
[M+Na-2H]-	261.90968	147.5
[M]+	240.93446	154.4
[M]-	240.93556	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe