CID 69494

638-79-9

Structural Information

Molecular Formula

C₅F₁₁I

SMILES

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

InChI

InChI=1S/C5F11I/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17

InChIKey

KCEJJSGJNCSQFI-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-iodopentane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 230
Patents: 395.8869 Da
Monoisotopic Mass: 4.8
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]+	396.89418	152.9
[M+Na]+	418.87612	156.3
[M-H]-	394.87962	135.6
[M+NH4]+	413.92072	163.4
[M+K]+	434.85006	159.2
[M+H-H2O]+	378.88416	138.4
[M+HCOO]-	440.88510	153.7
[M+CH3COO]-	454.90075	208.6
[M+Na-2H]-	416.86157	146.5
[M]+	395.88635	134.5
[M]-	395.88745	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe