CID 101196224

N-nitrosofenfluramine

Structural Information

Molecular Formula

C₁₂H₁₅F₃N₂O

SMILES

CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)N=O

InChI

InChI=1S/C12H15F3N2O/c1-3-17(16-18)9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9H,3,7H2,1-2H3

InChIKey

JVGWNJLSTCQSCZ-UHFFFAOYSA-N

Compound name

N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 260.11365 Da
Monoisotopic Mass: 3.8
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]+	261.12093	159.2
[M+Na]+	283.10287	166.5
[M+NH4]+	278.14747	164.2
[M+K]+	299.07681	161.7
[M-H]-	259.10637	157.2
[M+Na-2H]-	281.08832	163.2
[M]+	260.11310	159.3
[M]-	260.11420	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe