CID 122198435

2-(difluoromethoxy)-5-iodopyridine

Structural Information

Molecular Formula

C₆H₄F₂INO

SMILES

C1=CC(=NC=C1I)OC(F)F

InChI

InChI=1S/C6H4F2INO/c7-6(8)11-5-2-1-4(9)3-10-5/h1-3,6H

InChIKey

VPKNBPCEMYUPTR-UHFFFAOYSA-N

Compound name

2-(difluoromethoxy)-5-iodopyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 270.93057 Da
Monoisotopic Mass: 2.8
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]+	271.93785	133.4
[M+Na]+	293.91979	135.4
[M-H]-	269.92329	126.5
[M+NH4]+	288.96439	147.8
[M+K]+	309.89373	139.8
[M+H-H2O]+	253.92783	121.9
[M+HCOO]-	315.92877	149.6
[M+CH3COO]-	329.94442	186.0
[M+Na-2H]-	291.90524	127.9
[M]+	270.93002	129.3
[M]-	270.93112	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe