CID 3032301

12-fluorododecanonitrile

Structural Information

Molecular Formula

C₁₂H₂₂FN

SMILES

C(CCCCCC#N)CCCCCF

InChI

InChI=1S/C12H22FN/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-11H2

InChIKey

CXKXDUIIHKJROU-UHFFFAOYSA-N

Compound name

12-fluorododecanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.17363 Da
Monoisotopic Mass: 4.6
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]+	200.18091	141.5
[M+Na]+	222.16285	148.3
[M-H]-	198.16635	140.1
[M+NH4]+	217.20745	159.1
[M+K]+	238.13679	146.0
[M+H-H2O]+	182.17089	128.8
[M+HCOO]-	244.17183	159.4
[M+CH3COO]-	258.18748	200.9
[M+Na-2H]-	220.14830	145.6
[M]+	199.17308	138.9
[M]-	199.17418	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.