CID 73943

367-57-7

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

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

InChI

InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3

InChIKey

SHXHPUAKLCCLDV-UHFFFAOYSA-N

Compound name

1,1,1-trifluoropentane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 22
References: 7845
Patents: 154.02417 Da
Monoisotopic Mass: 0.9
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]+	155.03145	135.7
[M+Na]+	177.01339	142.3
[M+NH4]+	172.05799	140.1
[M+K]+	192.98733	139.2
[M-H]-	153.01689	129.3
[M+Na-2H]-	174.99884	136.3
[M]+	154.02362	134.3
[M]-	154.02472	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe