CID 64974436

(benzyloxy)[(2-chlorophenyl)methyl]amine

Structural Information

Molecular Formula

C₁₄H₁₄ClNO

SMILES

C1=CC=C(C=C1)CONCC2=CC=CC=C2Cl

InChI

InChI=1S/C14H14ClNO/c15-14-9-5-4-8-13(14)10-16-17-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2

InChIKey

JRSAEGOTHOHXJT-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-N-phenylmethoxymethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.07639 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]+	248.083666	153.6
[M+Na]+	270.065608	161.1
[M-H]-	246.069114	159.9
[M+NH4]+	265.110213	171.3
[M+K]+	286.039548	155.7
[M+H-H2O]+	230.073650	146.7
[M+HCOO]-	292.074591	174.7
[M+CH3COO]-	306.090241	193.8
[M+Na-2H]-	268.051056	160.8
[M]+	247.07584142	156.0
[M]-	247.07693858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.