CID 119009580

2-chloro-6-(difluoromethyl)nicotinonitrile

Structural Information

Molecular Formula

C₇H₃ClF₂N₂

SMILES

C1=CC(=NC(=C1C#N)Cl)C(F)F

InChI

InChI=1S/C7H3ClF2N2/c8-6-4(3-11)1-2-5(12-6)7(9)10/h1-2,7H

InChIKey

JUBLOUILPONADW-UHFFFAOYSA-N

Compound name

2-chloro-6-(difluoromethyl)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 187.99529 Da
Monoisotopic Mass: 2.2
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]+	189.00257	127.7
[M+Na]+	210.98451	139.9
[M-H]-	186.98801	127.4
[M+NH4]+	206.02911	145.1
[M+K]+	226.95845	135.5
[M+H-H2O]+	170.99255	114.3
[M+HCOO]-	232.99349	141.2
[M+CH3COO]-	247.00914	193.7
[M+Na-2H]-	208.96996	132.9
[M]+	187.99474	122.1
[M]-	187.99584	122.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe