CID 3040478

N-idrossifenfluramina [italian]

Structural Information

Molecular Formula

C₁₂H₁₆F₃NO

SMILES

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

InChI

InChI=1S/C12H16F3NO/c1-3-16(17)9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,17H,3,7H2,1-2H3

InChIKey

ZLNOYWVGLMWKHR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.1184 Da
Monoisotopic Mass: 3.4
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]+	248.125676	153.6
[M+Na]+	270.107618	159.9
[M-H]-	246.111124	153.1
[M+NH4]+	265.152223	170.7
[M+K]+	286.081558	157.8
[M+H-H2O]+	230.115660	144.9
[M+HCOO]-	292.116601	171.6
[M+CH3COO]-	306.132251	198.0
[M+Na-2H]-	268.093066	156.1
[M]+	247.11785142	150.2
[M]-	247.11894858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.