CID 46311555

1198103-42-2

Structural Information

Molecular Formula

C₇H₄F₂N₂O

SMILES

C1=CC(=NC=C1C#N)OC(F)F

InChI

InChI=1S/C7H4F2N2O/c8-7(9)12-6-2-1-5(3-10)4-11-6/h1-2,4,7H

InChIKey

RASGKOKUJVRDAN-UHFFFAOYSA-N

Compound name

6-(difluoromethoxy)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 170.02917 Da
Monoisotopic Mass: 1.8
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]+	171.03645	125.9
[M+Na]+	193.01839	136.3
[M-H]-	169.02189	125.4
[M+NH4]+	188.06299	142.8
[M+K]+	208.99233	134.2
[M+H-H2O]+	153.02643	111.3
[M+HCOO]-	215.02737	143.6
[M+CH3COO]-	229.04302	191.1
[M+Na-2H]-	191.00384	132.0
[M]+	170.02862	119.4
[M]-	170.02972	119.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe