CID 15495950

356518-29-1

Structural Information

Molecular Formula

C₆H₆F₃NO₂

SMILES

C1C(CC(=O)NC1=O)C(F)(F)F

InChI

InChI=1S/C6H6F3NO2/c7-6(8,9)3-1-4(11)10-5(12)2-3/h3H,1-2H2,(H,10,11,12)

InChIKey

SJVZSZLUUIIINC-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 181.03506 Da
Monoisotopic Mass: 0.3
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]+	182.04234	132.3
[M+Na]+	204.02428	140.5
[M-H]-	180.02778	129.2
[M+NH4]+	199.06888	150.3
[M+K]+	219.99822	137.9
[M+H-H2O]+	164.03232	124.6
[M+HCOO]-	226.03326	146.7
[M+CH3COO]-	240.04891	175.9
[M+Na-2H]-	202.00973	136.2
[M]+	181.03451	123.5
[M]-	181.03561	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe