CID 2782991

690632-15-6

Structural Information

Molecular Formula

C₉H₉F₃N₂O₂

SMILES

C1=CC(=CC(=C1)OCC(=NO)N)C(F)(F)F

InChI

InChI=1S/C9H9F3N2O2/c10-9(11,12)6-2-1-3-7(4-6)16-5-8(13)14-15/h1-4,15H,5H2,(H2,13,14)

InChIKey

SKUBUDPNDFNCOV-UHFFFAOYSA-N

Compound name

N'-hydroxy-2-[3-(trifluoromethyl)phenoxy]ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 234.06161 Da
Monoisotopic Mass: 2.0
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]+	235.06889	145.5
[M+Na]+	257.05083	152.7
[M-H]-	233.05433	144.8
[M+NH4]+	252.09543	162.3
[M+K]+	273.02477	150.4
[M+H-H2O]+	217.05887	136.6
[M+HCOO]-	279.05981	166.3
[M+CH3COO]-	293.07546	193.0
[M+Na-2H]-	255.03628	150.1
[M]+	234.06106	140.5
[M]-	234.06216	140.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.