CID 9965169

289717-57-3

Structural Information

Molecular Formula

C₁₄H₁₃ClFNO

SMILES

CNCC1=C(C=CC(=C1)F)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClFNO/c1-17-9-10-8-12(16)4-7-14(10)18-13-5-2-11(15)3-6-13/h2-8,17H,9H2,1H3

InChIKey

PMXOUAJLQYBUOO-UHFFFAOYSA-N

Compound name

1-[2-(4-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 56
Patents: 265.06696 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]+	266.07424	156.1
[M+Na]+	288.05618	165.6
[M-H]-	264.05968	161.8
[M+NH4]+	283.10078	173.7
[M+K]+	304.03012	159.8
[M+H-H2O]+	248.06422	148.6
[M+HCOO]-	310.06516	176.1
[M+CH3COO]-	324.08081	198.7
[M+Na-2H]-	286.04163	161.3
[M]+	265.06641	158.3
[M]-	265.06751	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe