CID 2734017

174744-18-4

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

C1COC(=O)C1C(F)(F)F

InChI

InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2-10-4(3)9/h3H,1-2H2

InChIKey

QNGJRLKMHRKJJL-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	137.0
[M+Na]+	177.01339	144.1
[M+NH4]+	172.05799	142.5
[M+K]+	192.98733	141.8
[M-H]-	153.01689	133.8
[M+Na-2H]-	174.99884	138.2
[M]+	154.02362	136.6
[M]-	154.02472	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe