CID 4610770

104329-18-2

Structural Information

Molecular Formula

C₁₄H₁₄ClNO

SMILES

COC1=CC=C(C=C1)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3

InChIKey

HJXWKUCABPCBMP-UHFFFAOYSA-N

Compound name

4-chloro-N-[(4-methoxyphenyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 247.07639 Da
Monoisotopic Mass: 4.0
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]+	248.08367	153.7
[M+Na]+	270.06561	162.1
[M-H]-	246.06911	160.4
[M+NH4]+	265.11021	171.7
[M+K]+	286.03955	156.8
[M+H-H2O]+	230.07365	147.0
[M+HCOO]-	292.07459	174.7
[M+CH3COO]-	306.09024	194.9
[M+Na-2H]-	268.05106	160.2
[M]+	247.07584	156.5
[M]-	247.07694	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe