CID 274563

35717-67-0

Structural Information

Molecular Formula

C₁₄H₁₀F₃NO

SMILES

C1=CC=C(C(=C1)C=NC2=CC=CC=C2C(F)(F)F)O

InChI

InChI=1S/C14H10F3NO/c15-14(16,17)11-6-2-3-7-12(11)18-9-10-5-1-4-8-13(10)19/h1-9,19H

InChIKey

LJQRZTLANHGFKY-UHFFFAOYSA-N

Compound name

2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 265.07144 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]+	266.07872	155.2
[M+Na]+	288.06066	164.0
[M-H]-	264.06416	158.4
[M+NH4]+	283.10526	171.6
[M+K]+	304.03460	158.9
[M+H-H2O]+	248.06870	145.5
[M+HCOO]-	310.06964	176.3
[M+CH3COO]-	324.08529	197.6
[M+Na-2H]-	286.04611	161.0
[M]+	265.07089	151.1
[M]-	265.07199	151.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.