CID 14924414

355-30-6

Structural Information

Molecular Formula

C₅H₃F₉O₂

SMILES

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

InChI

InChI=1S/C5H3F9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h1,15-16H

InChIKey

OKBXLDZUHBWJBK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 265.99893 Da
Monoisotopic Mass: 2.1
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]+	267.00621	142.8
[M+Na]+	288.98815	151.3
[M-H]-	264.99165	130.0
[M+NH4]+	284.03275	157.2
[M+K]+	304.96209	149.1
[M+H-H2O]+	248.99619	132.8
[M+HCOO]-	310.99713	147.6
[M+CH3COO]-	325.01278	191.4
[M+Na-2H]-	286.97360	146.4
[M]+	265.99838	127.5
[M]-	265.99948	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe