CID 55267340

2-(3,5-difluoropyridin-2-yl)acetonitrile

Structural Information

Molecular Formula

C₇H₄F₂N₂

SMILES

C1=C(C=NC(=C1F)CC#N)F

InChI

InChI=1S/C7H4F2N2/c8-5-3-6(9)7(1-2-10)11-4-5/h3-4H,1H2

InChIKey

OACYWDWMXRHRMM-UHFFFAOYSA-N

Compound name

2-(3,5-difluoro-2-pyridinyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.03426 Da
Monoisotopic Mass: 0.7
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	122.0
[M+Na]+	177.023478	133.5
[M-H]-	153.026984	121.8
[M+NH4]+	172.068083	139.9
[M+K]+	192.997418	130.7
[M+H-H2O]+	137.031520	107.8
[M+HCOO]-	199.032461	140.4
[M+CH3COO]-	213.048111	189.6
[M+Na-2H]-	175.008926	128.6
[M]+	154.03371142	115.1
[M]-	154.03480858	115.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe