CID 90744

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

Structural Information

Molecular Formula

C₆H₃F₉

SMILES

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

InChI

InChI=1S/C6H3F9/c7-1-2(8)5(12,13)6(14,15)3(9)4(1,10)11/h1-3H

InChIKey

DVAJXVTXOULZLP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 246.00911 Da
Monoisotopic Mass: 3.2
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]+	247.01639	133.1
[M+Na]+	268.99833	146.5
[M-H]-	245.00183	127.2
[M+NH4]+	264.04293	156.5
[M+K]+	284.97227	143.2
[M+H-H2O]+	229.00637	123.8
[M+HCOO]-	291.00731	144.5
[M+CH3COO]-	305.02296	194.7
[M+Na-2H]-	266.98378	135.1
[M]+	246.00856	119.3
[M]-	246.00966	119.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe