CID 9552

Perfluoroethylcyclohexane

Structural Information

Molecular Formula

C₈F₁₆

SMILES

C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F

InChI

InChI=1S/C8F16/c9-1(4(14,15)8(22,23)24)2(10,11)5(16,17)7(20,21)6(18,19)3(1,12)13

InChIKey

SEEJHICDPXGSRQ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 718
Patents: 399.97446 Da
Monoisotopic Mass: 5.4
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]+	400.981736	157.3
[M+Na]+	422.963678	173.7
[M-H]-	398.967184	146.1
[M+NH4]+	418.008283	178.6
[M+K]+	438.937618	169.8
[M+H-H2O]+	382.971720	147.0
[M+HCOO]-	444.972661	158.7
[M+CH3COO]-	458.988311	221.1
[M+Na-2H]-	420.949126	160.5
[M]+	399.97391142	136.3
[M]-	399.97500858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe