CID 53410102

1214377-09-9

Structural Information

Molecular Formula

C₆H₂F₂N₂

SMILES

C1=C(C(=C(C=N1)F)C#N)F

InChI

InChI=1S/C6H2F2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H

InChIKey

QZUIHNOMVCGTEY-UHFFFAOYSA-N

Compound name

3,5-difluoropyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 140.0186 Da
Monoisotopic Mass: 0.8
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]+	141.02588	128.0
[M+Na]+	163.00782	140.4
[M+NH4]+	158.05242	132.2
[M+K]+	178.98176	130.8
[M-H]-	139.01132	120.0
[M+Na-2H]-	160.99327	132.0
[M]+	140.01805	126.6
[M]-	140.01915	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe