CID 2773942

16297-07-7

Structural Information

Molecular Formula

C₆F₄N₂

SMILES

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

InChI

InChI=1S/C6F4N2/c7-3-2(1-11)4(8)6(10)12-5(3)9

InChIKey

JXISJBVJNUKKBK-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrafluoropyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 175.99976 Da
Monoisotopic Mass: 1.6
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]+	177.00704	118.9
[M+Na]+	198.98898	132.2
[M-H]-	174.99248	116.9
[M+NH4]+	194.03358	136.3
[M+K]+	214.96292	129.2
[M+H-H2O]+	158.99702	103.7
[M+HCOO]-	220.99796	135.7
[M+CH3COO]-	235.01361	194.0
[M+Na-2H]-	196.97443	123.9
[M]+	175.99921	110.2
[M]-	176.00031	110.2

Literature stripe

literature stripe

Patent stripe

patents stripe