CID 74600

Tetrafluorophthalonitrile

Structural Information

Molecular Formula

C₈F₄N₂

SMILES

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

InChI

InChI=1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11

InChIKey

OFLRJMBSWDXSPG-UHFFFAOYSA-N

Compound name

3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 921
Patents: 199.99976 Da
Monoisotopic Mass: 1.8
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]+	201.00704	136.4
[M+Na]+	222.98898	148.4
[M-H]-	198.99248	137.1
[M+NH4]+	218.03358	149.4
[M+K]+	238.96292	145.2
[M+H-H2O]+	182.99702	120.2
[M+HCOO]-	244.99796	147.6
[M+CH3COO]-	259.01361	218.3
[M+Na-2H]-	220.97443	137.9
[M]+	199.99921	126.0
[M]-	200.00031	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe