CID 9640

Perfluorocyclohexane

Structural Information

Molecular Formula

C₆F₁₂

SMILES

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

InChI

InChI=1S/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12

InChIKey

RKIMETXDACNTIE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 4419
Patents: 299.98083 Da
Monoisotopic Mass: 2.9
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]+	300.988106	132.1
[M+Na]+	322.970048	148.4
[M-H]-	298.973554	124.7
[M+NH4]+	318.014653	158.1
[M+K]+	338.943988	145.2
[M+H-H2O]+	282.978090	123.5
[M+HCOO]-	344.979031	140.8
[M+CH3COO]-	358.994681	204.3
[M+Na-2H]-	320.955496	136.8
[M]+	299.98028142	117.0
[M]-	299.98137858	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe