CID 2782590

1,6-diiodo-3,3,4,4-tetrafluorohexane

Structural Information

Molecular Formula

C₆H₈F₄I₂

SMILES

C(CI)C(C(CCI)(F)F)(F)F

InChI

InChI=1S/C6H8F4I2/c7-5(8,1-3-11)6(9,10)2-4-12/h1-4H2

InChIKey

JFYZKVSETQEPKR-UHFFFAOYSA-N

Compound name

3,3,4,4-tetrafluoro-1,6-diiodohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 320
Patents: 409.86517 Da
Monoisotopic Mass: 4.5
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]+	410.87245	157.6
[M+Na]+	432.85439	151.5
[M+NH4]+	427.89899	155.0
[M+K]+	448.82833	153.1
[M-H]-	408.85789	143.4
[M+Na-2H]-	430.83984	141.9
[M]+	409.86462	150.9
[M]-	409.86572	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe