CID 14175377

756-12-7

Structural Information

Molecular Formula

C₅F₁₀O

SMILES

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

InChI

InChI=1S/C5F10O/c6-2(4(10,11)12,5(13,14)15)1(16)3(7,8)9

InChIKey

ABQIAHFCJGVSDJ-UHFFFAOYSA-N

Compound name

1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 672
Patents: 265.97894 Da
Monoisotopic Mass: 3.5
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]+	266.98622	181.7
[M+Na]+	288.96816	182.4
[M+NH4]+	284.01276	181.0
[M+K]+	304.94210	180.1
[M-H]-	264.97166	174.2
[M+Na-2H]-	286.95361	178.8
[M]+	265.97839	179.4
[M]-	265.97949	179.4

Literature stripe

literature stripe

Patent stripe

patents stripe