CID 11138573

349-38-2

Structural Information

Molecular Formula

C₁₄H₁₂F₂

SMILES

C1=CC=C(C(=C1)CCC2=CC=CC=C2F)F

InChI

InChI=1S/C14H12F2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2

InChIKey

DCGNAMWRLBRLFJ-UHFFFAOYSA-N

Compound name

1-fluoro-2-[2-(2-fluorophenyl)ethyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 218.09071 Da
Monoisotopic Mass: 4.3
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]+	219.09799	144.8
[M+Na]+	241.07993	153.5
[M-H]-	217.08343	149.1
[M+NH4]+	236.12453	163.4
[M+K]+	257.05387	148.7
[M+H-H2O]+	201.08797	136.1
[M+HCOO]-	263.08891	167.1
[M+CH3COO]-	277.10456	189.8
[M+Na-2H]-	239.06538	150.3
[M]+	218.09016	142.5
[M]-	218.09126	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe