CID 3704945

1841-85-6

Structural Information

Molecular Formula

C₁₄H₁₂FNO₂

SMILES

COC1=CC=CC(=C1O)C=NC2=CC=C(C=C2)F

InChI

InChI=1S/C14H12FNO2/c1-18-13-4-2-3-10(14(13)17)9-16-12-7-5-11(15)6-8-12/h2-9,17H,1H3

InChIKey

GEKAPFNMAKPDKB-UHFFFAOYSA-N

Compound name

2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 245.0852 Da
Monoisotopic Mass: 2.8
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]+	246.09248	151.9
[M+Na]+	268.07442	160.8
[M-H]-	244.07792	158.0
[M+NH4]+	263.11902	169.3
[M+K]+	284.04836	156.9
[M+H-H2O]+	228.08246	143.5
[M+HCOO]-	290.08340	176.9
[M+CH3COO]-	304.09905	195.6
[M+Na-2H]-	266.05987	157.6
[M]+	245.08465	152.4
[M]-	245.08575	152.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.