CID 67826

Octafluoroadipodinitrile

Structural Information

Molecular Formula

C₆F₈N₂

SMILES

C(#N)C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C6F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16

InChIKey

PZIVXXORSILYOQ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5-octafluorohexanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 139
Patents: 251.99338 Da
Monoisotopic Mass: 2.4
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]+	253.00066	145.9
[M+Na]+	274.98260	153.7
[M-H]-	250.98610	141.1
[M+NH4]+	270.02720	156.1
[M+K]+	290.95654	154.1
[M+H-H2O]+	234.99064	128.4
[M+HCOO]-	296.99158	149.7
[M+CH3COO]-	311.00723	222.6
[M+Na-2H]-	272.96805	148.3
[M]+	251.99283	129.8
[M]-	251.99393	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe