CID 89455

21165-60-6

Structural Information

Molecular Formula

C₁₆H₁₆FN

SMILES

CNCC=C(C1=CC=CC=C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H16FN/c1-18-12-11-16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-11,18H,12H2,1H3

InChIKey

DCLZVPBJDFMYKZ-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-N-methyl-3-phenylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.12668 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]+	242.13396	155.0
[M+Na]+	264.11590	161.0
[M-H]-	240.11940	160.0
[M+NH4]+	259.16050	172.0
[M+K]+	280.08984	155.9
[M+H-H2O]+	224.12394	146.4
[M+HCOO]-	286.12488	177.9
[M+CH3COO]-	300.14053	196.1
[M+Na-2H]-	262.10135	159.8
[M]+	241.12613	152.0
[M]-	241.12723	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe