CID 53956637

79361-03-8

Structural Information

Molecular Formula

C₅H₄F₂O₃

SMILES

C1CC(C(=O)OC1=O)(F)F

InChI

InChI=1S/C5H4F2O3/c6-5(7)2-1-3(8)10-4(5)9/h1-2H2

InChIKey

JICFSEVPEYNTTG-UHFFFAOYSA-N

Compound name

3,3-difluorooxane-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 150.01285 Da
Monoisotopic Mass: 0.6
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]+	151.02013	120.5
[M+Na]+	173.00207	129.9
[M-H]-	149.00557	122.7
[M+NH4]+	168.04667	142.5
[M+K]+	188.97601	130.5
[M+H-H2O]+	133.01011	114.9
[M+HCOO]-	195.01105	140.1
[M+CH3COO]-	209.02670	171.9
[M+Na-2H]-	170.98752	127.8
[M]+	150.01230	117.0
[M]-	150.01340	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe