CID 23234364

Perfluoro-cyclooctane

Structural Information

Molecular Formula

C₈F₁₆

SMILES

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

InChI

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

InChIKey

BCLLRNVMLZXSMM-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorocyclooctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 118
Patents: 399.97446 Da
Monoisotopic Mass: 4.3
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]+	400.98174	191.0
[M+Na]+	422.96368	200.2
[M-H]-	398.96718	186.8
[M+NH4]+	418.00828	201.3
[M+K]+	438.93762	198.5
[M+H-H2O]+	382.97172	185.0
[M+HCOO]-	444.97266	191.5
[M+CH3COO]-	458.98831	239.6
[M+Na-2H]-	420.94913	186.3
[M]+	399.97391	182.2
[M]-	399.97501	182.2

Literature stripe

literature stripe

Patent stripe

patents stripe