CID 13350499

5-(trifluoromethyl)oxolan-2-one

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

C1CC(=O)OC1C(F)(F)F

InChI

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

InChIKey

GNKPTBKNJXNUTC-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 154.02417 Da
Monoisotopic Mass: 1.4
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	123.2
[M+Na]+	177.01339	131.9
[M-H]-	153.01689	123.7
[M+NH4]+	172.05799	144.7
[M+K]+	192.98733	132.2
[M+H-H2O]+	137.02143	116.8
[M+HCOO]-	199.02237	141.8
[M+CH3COO]-	213.03802	172.2
[M+Na-2H]-	174.99884	128.8
[M]+	154.02362	118.4
[M]-	154.02472	118.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe