CID 78994

1,6-diiodoperfluorohexane

Structural Information

Molecular Formula

C₆F₁₂I₂

SMILES

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

InChI

InChI=1S/C6F12I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20

InChIKey

JOQDDLBOAIKFQX-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 2566
Patents: 553.7898 Da
Monoisotopic Mass: 5.7
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]+	554.79708	157.4
[M+Na]+	576.77902	153.6
[M-H]-	552.78252	137.8
[M+NH4]+	571.82362	161.4
[M+K]+	592.75296	161.7
[M+H-H2O]+	536.78706	141.9
[M+HCOO]-	598.78800	153.0
[M+CH3COO]-	612.80365	227.0
[M+Na-2H]-	574.76447	146.6
[M]+	553.78925	139.0
[M]-	553.79035	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe