CID 2773892

98968-77-5

Structural Information

Molecular Formula

C₁₂H₈ClF₃N₂O

SMILES

C1=CC=C(C(=C1)N)OC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C12H8ClF3N2O/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h1-6H,17H2

InChIKey

HMDILVCALCFEHG-UHFFFAOYSA-N

Compound name

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 87
Patents: 288.0277 Da
Monoisotopic Mass: 3.5
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]+	289.03498	158.7
[M+Na]+	311.01692	170.1
[M+NH4]+	306.06152	164.4
[M+K]+	326.99086	164.0
[M-H]-	287.02042	158.0
[M+Na-2H]-	309.00237	165.4
[M]+	288.02715	160.2
[M]-	288.02825	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe