CID 23512

Flumetramide

Structural Information

Molecular Formula

C₁₁H₁₀F₃NO₂

SMILES

C1C(OCC(=O)N1)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9-5-15-10(16)6-17-9/h1-4,9H,5-6H2,(H,15,16)

InChIKey

UODXSCCNACAPCE-UHFFFAOYSA-N

Compound name

6-[4-(trifluoromethyl)phenyl]morpholin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2020
Patents: 245.06636 Da
Monoisotopic Mass: 1.6
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]+	246.073636	150.4
[M+Na]+	268.055578	157.7
[M-H]-	244.059084	150.9
[M+NH4]+	263.100183	164.2
[M+K]+	284.029518	154.6
[M+H-H2O]+	228.063620	140.7
[M+HCOO]-	290.064561	163.6
[M+CH3COO]-	304.080211	187.6
[M+Na-2H]-	266.041026	154.9
[M]+	245.06581142	142.4
[M]-	245.06690858	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe