CID 67830

Perfluoroglutaronitrile

Structural Information

Molecular Formula

C₅F₆N₂

SMILES

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

InChI

InChI=1S/C5F6N2/c6-3(7,1-12)5(10,11)4(8,9)2-13

InChIKey

YDLOFKOZJGMQBZ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4-hexafluoropentanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 201.99657 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]+	203.003846	140.1
[M+Na]+	224.985788	148.6
[M-H]-	200.989294	137.1
[M+NH4]+	220.030393	152.0
[M+K]+	240.959728	148.8
[M+H-H2O]+	184.993830	123.5
[M+HCOO]-	246.994771	146.5
[M+CH3COO]-	261.010421	216.6
[M+Na-2H]-	222.971236	143.2
[M]+	201.99602142	126.2
[M]-	201.99711858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe