CID 87090561

2-fluoro-6-iodopyridin-3-ol

Structural Information

Molecular Formula

SMILES

C1=CC(=NC(=C1O)F)I

InChI

InChI=1S/C5H3FINO/c6-5-3(9)1-2-4(7)8-5/h1-2,9H

InChIKey

MBVHKLCIADVZCE-UHFFFAOYSA-N

Compound name

2-fluoro-6-iodopyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 238.92435 Da
Monoisotopic Mass: 1.6
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]+	239.93163	127.4
[M+Na]+	261.91357	130.5
[M-H]-	237.91707	121.0
[M+NH4]+	256.95817	142.8
[M+K]+	277.88751	134.2
[M+H-H2O]+	221.92161	117.6
[M+HCOO]-	283.92255	144.4
[M+CH3COO]-	297.93820	178.3
[M+Na-2H]-	259.89902	122.9
[M]+	238.92380	123.2
[M]-	238.92490	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe