CID 84644

19648-85-2

Structural Information

Molecular Formula

C₅H₂F₆O₂

SMILES

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

InChI

InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1,12H

InChIKey

ZUSKFDORJCVUSD-UHFFFAOYSA-N

Compound name

1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1469
Patents: 207.9959 Da
Monoisotopic Mass: 2.4
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]+	209.00318	132.0
[M+Na]+	230.98512	140.7
[M-H]-	206.98862	123.8
[M+NH4]+	226.02972	149.9
[M+K]+	246.95906	138.8
[M+H-H2O]+	190.99316	123.7
[M+HCOO]-	252.99410	144.1
[M+CH3COO]-	267.00975	181.1
[M+Na-2H]-	228.97057	134.8
[M]+	207.99535	122.1
[M]-	207.99645	122.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe