CID 167740806

5-(difluoromethyl)oxolan-3-one

Structural Information

Molecular Formula

C₅H₆F₂O₂

SMILES

C1C(OCC1=O)C(F)F

InChI

InChI=1S/C5H6F2O2/c6-5(7)4-1-3(8)2-9-4/h4-5H,1-2H2

InChIKey

RCGHQRCZNKRTMY-UHFFFAOYSA-N

Compound name

5-(difluoromethyl)oxolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.03358 Da
Monoisotopic Mass: 0.5
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]+	137.040856	121.5
[M+Na]+	159.022798	129.4
[M-H]-	135.026304	123.1
[M+NH4]+	154.067403	143.5
[M+K]+	174.996738	130.1
[M+H-H2O]+	119.030840	115.3
[M+HCOO]-	181.031781	141.7
[M+CH3COO]-	195.047431	170.6
[M+Na-2H]-	157.008246	125.5
[M]+	136.03303142	117.8
[M]-	136.03412858	117.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.