CID 2782983

263161-34-8

Structural Information

Molecular Formula

C₁₃H₁₀F₃N₃O₂

SMILES

C1=CC(=CC=C1C(=NO)N)OC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H10F3N3O2/c14-13(15,16)9-3-6-11(18-7-9)21-10-4-1-8(2-5-10)12(17)19-20/h1-7,20H,(H2,17,19)

InChIKey

RHAVFJMKHOLIST-UHFFFAOYSA-N

Compound name

N'-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 297.0725 Da
Monoisotopic Mass: 2.7
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]+	298.079776	162.3
[M+Na]+	320.061718	170.1
[M-H]-	296.065224	163.7
[M+NH4]+	315.106323	175.1
[M+K]+	336.035658	165.9
[M+H-H2O]+	280.069760	151.3
[M+HCOO]-	342.070701	181.9
[M+CH3COO]-	356.086351	204.7
[M+Na-2H]-	318.047166	167.2
[M]+	297.07195142	157.4
[M]-	297.07304858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe