CID 5363864

Neodymium trifluoroacetylacetonate

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

CC(=O)/C=C(/C(F)(F)F)\O

InChI

InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2,10H,1H3/b4-2-

InChIKey

HZWABPCDJWBJSC-RQOWECAXSA-N

Compound name

(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 431
Patents: 154.02417 Da
Monoisotopic Mass: 1.3
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	141.8
[M+NH4]+	172.05799	139.8
[M+K]+	192.98733	139.0
[M-H]-	153.01689	128.8
[M+Na-2H]-	174.99884	135.8
[M]+	154.02362	134.0
[M]-	154.02472	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe