CID 118845170

1807031-86-2

Structural Information

Molecular Formula

C₆H₂F₂N₂

SMILES

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

InChI

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

InChIKey

ZTKJIPABINKPDZ-UHFFFAOYSA-N

Compound name

4,5-difluoropyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	141.02588	117.9
[M+Na]+	163.00782	129.8
[M-H]-	139.01132	117.9
[M+NH4]+	158.05242	136.3
[M+K]+	178.98176	127.2
[M+H-H2O]+	123.01586	104.0
[M+HCOO]-	185.01680	136.6
[M+CH3COO]-	199.03245	186.9
[M+Na-2H]-	160.99327	125.1
[M]+	140.01805	110.7
[M]-	140.01915	110.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe