CID 78975

Perfluoro-1,3-dimethylcyclohexane

Structural Information

Molecular Formula

C₈F₁₆

SMILES

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

InChI

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

InChIKey

LOQGSOTUHASIHI-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 6645
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]+	400.98174	163.9
[M+Na]+	422.96368	164.1
[M+NH4]+	418.00828	164.0
[M+K]+	438.93762	163.5
[M-H]-	398.96718	162.1
[M+Na-2H]-	420.94913	164.3
[M]+	399.97391	163.4
[M]-	399.97501	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe