CID 43122805

2-fluoro-5-methyl-n-[1-(4-methylphenyl)ethyl]aniline hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₈FN

SMILES

CC1=CC=C(C=C1)C(C)NC2=C(C=CC(=C2)C)F

InChI

InChI=1S/C16H18FN/c1-11-4-7-14(8-5-11)13(3)18-16-10-12(2)6-9-15(16)17/h4-10,13,18H,1-3H3

InChIKey

SOFJRHWETABJOK-UHFFFAOYSA-N

Compound name

2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.14233 Da
Monoisotopic Mass: 4.6
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]+	244.149606	155.6
[M+Na]+	266.131548	163.1
[M-H]-	242.135054	161.3
[M+NH4]+	261.176153	173.1
[M+K]+	282.105488	158.7
[M+H-H2O]+	226.139590	147.4
[M+HCOO]-	288.140531	178.3
[M+CH3COO]-	302.156181	199.9
[M+Na-2H]-	264.116996	159.0
[M]+	243.14178142	154.1
[M]-	243.14287858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.