CID 55296931

5,5-difluoropiperidine-2,4-dione

Structural Information

Molecular Formula

C₅H₅F₂NO₂

SMILES

C1C(=O)C(CNC1=O)(F)F

InChI

InChI=1S/C5H5F2NO2/c6-5(7)2-8-4(10)1-3(5)9/h1-2H2,(H,8,10)

InChIKey

QDHUNPPKWGHOKC-UHFFFAOYSA-N

Compound name

5,5-difluoropiperidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.02884 Da
Monoisotopic Mass: -0.1
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]+	150.03612	123.8
[M+Na]+	172.01806	132.8
[M-H]-	148.02156	122.4
[M+NH4]+	167.06266	145.0
[M+K]+	187.99200	130.8
[M+H-H2O]+	132.02610	117.5
[M+HCOO]-	194.02704	141.2
[M+CH3COO]-	208.04269	169.9
[M+Na-2H]-	170.00351	129.3
[M]+	149.02829	116.8
[M]-	149.02939	116.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.