CID 3054646

Brn 2989720

Structural Information

Molecular Formula

C₁₆H₁₆ClNO₂

SMILES

CC(C(=O)N)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClNO2/c1-11(16(18)19)20-15-8-4-13(5-9-15)10-12-2-6-14(17)7-3-12/h2-9,11H,10H2,1H3,(H2,18,19)

InChIKey

KQKOZZHVIQQRJX-UHFFFAOYSA-N

Compound name

2-[4-[(4-chlorophenyl)methyl]phenoxy]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.08694 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]+	290.094216	165.6
[M+Na]+	312.076158	172.8
[M-H]-	288.079664	171.7
[M+NH4]+	307.120763	181.4
[M+K]+	328.050098	167.8
[M+H-H2O]+	272.084200	158.7
[M+HCOO]-	334.085141	183.9
[M+CH3COO]-	348.100791	203.2
[M+Na-2H]-	310.061606	167.6
[M]+	289.08639142	167.7
[M]-	289.08748858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.