CID 2759367

Iodoperfluorocyclohexane

Structural Information

Molecular Formula

C₆F₁₁I

SMILES

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

InChI

InChI=1S/C6F11I/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12

InChIKey

WYRAAMGCHCLHRD-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-iodocyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 407.8869 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]+	408.894176	127.2
[M+Na]+	430.876118	136.6
[M-H]-	406.879624	115.3
[M+NH4]+	425.920723	148.7
[M+K]+	446.850058	139.0
[M+H-H2O]+	390.884160	116.7
[M+HCOO]-	452.885101	133.3
[M+CH3COO]-	466.900751	210.7
[M+Na-2H]-	428.861566	122.7
[M]+	407.88635142	112.4
[M]-	407.88744858	112.4

Literature stripe

literature stripe

Patent stripe

patents stripe