CID 44562613

1085313-99-0

Structural Information

Molecular Formula

C₁₅H₁₅ClFNO

SMILES

CC1=C(C=CC(=C1)OC2=C(C=CC(=C2)Cl)CNC)F

InChI

InChI=1S/C15H15ClFNO/c1-10-7-13(5-6-14(10)17)19-15-8-12(16)4-3-11(15)9-18-2/h3-8,18H,9H2,1-2H3

InChIKey

KUWISOBIRVPNDN-UHFFFAOYSA-N

Compound name

1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 279.0826 Da
Monoisotopic Mass: 3.9
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]+	280.089876	160.8
[M+Na]+	302.071818	170.7
[M-H]-	278.075324	166.7
[M+NH4]+	297.116423	178.1
[M+K]+	318.045758	164.8
[M+H-H2O]+	262.079860	153.3
[M+HCOO]-	324.080801	180.4
[M+CH3COO]-	338.096451	202.9
[M+Na-2H]-	300.057266	164.6
[M]+	279.08205142	163.7
[M]-	279.08314858	163.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.