CID 15464722

Schembl4726201

Structural Information

Molecular Formula

C₅H₃F₉

SMILES

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

InChI

InChI=1S/C5H3F9/c6-1(3(8)9)2(7)4(10,11)5(12,13)14/h1-3H

InChIKey

QGMJXJOILLCMLY-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,4,5,5-nonafluoropentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 234.00911 Da
Monoisotopic Mass: 3.7
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]+	235.01639	136.7
[M+Na]+	256.99833	145.0
[M-H]-	233.00183	126.1
[M+NH4]+	252.04293	153.7
[M+K]+	272.97227	143.5
[M+H-H2O]+	217.00637	125.5
[M+HCOO]-	279.00731	145.1
[M+CH3COO]-	293.02296	193.2
[M+Na-2H]-	254.98378	136.7
[M]+	234.00856	122.5
[M]-	234.00966	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe