CID 67733

Perfluorohexyl iodide

Structural Information

Molecular Formula

C₆F₁₃I

SMILES

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

InChI

InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20

InChIKey

BULLJMKUVKYZDJ-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1646
Patents: 445.8837 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]+	446.89098	163.5
[M+Na]+	468.87292	167.0
[M-H]-	444.87642	144.8
[M+NH4]+	463.91752	171.9
[M+K]+	484.84686	169.3
[M+H-H2O]+	428.88096	147.9
[M+HCOO]-	490.88190	160.8
[M+CH3COO]-	504.89755	217.4
[M+Na-2H]-	466.85837	156.8
[M]+	445.88315	142.0
[M]-	445.88425	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe