CID 28614

17587-22-3

Structural Information

Molecular Formula

C₁₀H₁₁F₇O₂

SMILES

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

InChI

InChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3

InChIKey

SQNZLBOJCWQLGQ-UHFFFAOYSA-N

Compound name

6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 1471
Patents: 296.06473 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]+	297.07201	154.5
[M+Na]+	319.05395	162.4
[M-H]-	295.05745	146.4
[M+NH4]+	314.09855	169.5
[M+K]+	335.02789	160.8
[M+H-H2O]+	279.06199	145.5
[M+HCOO]-	341.06293	162.4
[M+CH3COO]-	355.07858	203.2
[M+Na-2H]-	317.03940	157.0
[M]+	296.06418	145.7
[M]-	296.06528	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe