CID 7059263

202197-26-0

Structural Information

Molecular Formula

C₁₃H₁₁ClFNO

SMILES

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C13H11ClFNO/c14-12-7-11(16)4-5-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2

InChIKey

AYPFEYDGZDPAPE-UHFFFAOYSA-N

Compound name

3-chloro-4-[(3-fluorophenyl)methoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 711
Patents: 251.05132 Da
Monoisotopic Mass: 3.4
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]+	252.05860	152.1
[M+Na]+	274.04054	162.0
[M-H]-	250.04404	157.4
[M+NH4]+	269.08514	169.9
[M+K]+	290.01448	156.1
[M+H-H2O]+	234.04858	144.9
[M+HCOO]-	296.04952	171.8
[M+CH3COO]-	310.06517	195.1
[M+Na-2H]-	272.02599	156.7
[M]+	251.05077	152.9
[M]-	251.05187	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe