CID 75406284

2-(difluoromethyl)isonicotinonitrile

Structural Information

Molecular Formula

C₇H₄F₂N₂

SMILES

C1=CN=C(C=C1C#N)C(F)F

InChI

InChI=1S/C7H4F2N2/c8-7(9)6-3-5(4-10)1-2-11-6/h1-3,7H

InChIKey

MHIVNBZOWUQBSC-UHFFFAOYSA-N

Compound name

2-(difluoromethyl)pyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 154.03426 Da
Monoisotopic Mass: 1.1
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]+	155.041536	123.6
[M+Na]+	177.023478	134.0
[M-H]-	153.026984	123.1
[M+NH4]+	172.068083	141.1
[M+K]+	192.997418	131.4
[M+H-H2O]+	137.031520	109.1
[M+HCOO]-	199.032461	141.0
[M+CH3COO]-	213.048111	189.3
[M+Na-2H]-	175.008926	129.6
[M]+	154.03371142	115.8
[M]-	154.03480858	115.8

Literature stripe

literature stripe

Patent stripe

patents stripe