CID 617328

113116-18-0

Structural Information

Molecular Formula

C₉H₂F₁₄O₂

SMILES

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

InChI

InChI=1S/C9H2F14O2/c10-4(11,6(14,15)8(18,19)20)2(24)1-3(25)5(12,13)7(16,17)9(21,22)23/h1H2

InChIKey

NICYPDXBQUERJQ-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluorononane-4,6-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 122
Patents: 407.98312 Da
Monoisotopic Mass: 4.7
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]+	408.99040	171.8
[M+Na]+	430.97234	181.0
[M-H]-	406.97584	159.8
[M+NH4]+	426.01694	163.6
[M+K]+	446.94628	178.1
[M+H-H2O]+	390.98038	158.1
[M+HCOO]-	452.98132	171.6
[M+CH3COO]-	466.99697	221.6
[M+Na-2H]-	428.95779	173.0
[M]+	407.98257	151.9
[M]-	407.98367	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe