CID 11143068

813-45-6

Structural Information

Molecular Formula

C₇F₁₄O

SMILES

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

InChI

InChI=1S/C7F14O/c8-2(5(13,14)15,6(16,17)18)1(22)3(9,10)4(11,12)7(19,20)21

InChIKey

SIVXJSMXRSOFRR-UHFFFAOYSA-N

Compound name

1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hexan-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 162
Patents: 365.97256 Da
Monoisotopic Mass: 4.9
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]+	366.979836	163.6
[M+Na]+	388.961778	173.6
[M-H]-	364.965284	149.1
[M+NH4]+	384.006383	174.9
[M+K]+	404.935718	170.8
[M+H-H2O]+	348.969820	150.0
[M+HCOO]-	410.970761	162.8
[M+CH3COO]-	424.986411	214.2
[M+Na-2H]-	386.947226	166.1
[M]+	365.97201142	141.8
[M]-	365.97310858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe