CID 2783253

2-cyano-3,5-difluoropyridine

Structural Information

Molecular Formula

C₆H₂F₂N₂

SMILES

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

InChI

InChI=1S/C6H2F2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H

InChIKey

WLBIFECTHKFYKV-UHFFFAOYSA-N

Compound name

3,5-difluoropyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 528
Patents: 140.0186 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]+	141.025876	117.9
[M+Na]+	163.007818	129.8
[M-H]-	139.011324	117.9
[M+NH4]+	158.052423	136.3
[M+K]+	178.981758	127.2
[M+H-H2O]+	123.015860	104.0
[M+HCOO]-	185.016801	136.6
[M+CH3COO]-	199.032451	186.9
[M+Na-2H]-	160.993266	125.1
[M]+	140.01805142	110.7
[M]-	140.01914858	110.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe