CID 53892809

2,2,2-trifluoro-1-(1h-pyrazol-5-yl)ethan-1-one

Structural Information

Molecular Formula

C₅H₃F₃N₂O

SMILES

C1=C(NN=C1)C(=O)C(F)(F)F

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)3-1-2-9-10-3/h1-2H,(H,9,10)

InChIKey

HRRHIOCEIKYIJX-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(1H-pyrazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 164.01974 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]+	165.02702	134.1
[M+Na]+	187.00896	141.2
[M+NH4]+	182.05356	138.4
[M+K]+	202.98290	139.6
[M-H]-	163.01246	128.2
[M+Na-2H]-	184.99441	136.6
[M]+	164.01919	132.9
[M]-	164.02029	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe