CID 131526034

5-(trifluoromethyl)oxolan-3-one

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

C1C(OCC1=O)C(F)(F)F

InChI

InChI=1S/C5H5F3O2/c6-5(7,8)4-1-3(9)2-10-4/h4H,1-2H2

InChIKey

MCLZGPCKOPNNHY-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)oxolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.02417 Da
Monoisotopic Mass: 0.8
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]+	155.031446	123.2
[M+Na]+	177.013388	131.9
[M-H]-	153.016894	123.7
[M+NH4]+	172.057993	144.7
[M+K]+	192.987328	132.2
[M+H-H2O]+	137.021430	116.8
[M+HCOO]-	199.022371	141.8
[M+CH3COO]-	213.038021	172.2
[M+Na-2H]-	174.998836	128.8
[M]+	154.02362142	118.4
[M]-	154.02471858	118.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.