CID 67552

Undecafluorocyclohexane

Structural Information

Molecular Formula

C₆HF₁₁

SMILES

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

InChI

InChI=1S/C6HF11/c7-1-2(8,9)4(12,13)6(16,17)5(14,15)3(1,10)11/h1H

InChIKey

AWQSRASHARXGAH-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6-undecafluorocyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3223
Patents: 281.99026 Da
Monoisotopic Mass: 3.8
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]+	282.997536	132.7
[M+Na]+	304.979478	148.1
[M-H]-	280.982984	125.7
[M+NH4]+	300.024083	158.0
[M+K]+	320.953418	144.8
[M+H-H2O]+	264.987520	123.8
[M+HCOO]-	326.988461	142.3
[M+CH3COO]-	341.004111	201.0
[M+Na-2H]-	302.964926	136.5
[M]+	281.98971142	117.9
[M]-	281.99080858	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe