CID 123058

396-64-5

Structural Information

Molecular Formula

C₁₂H₈F₂

SMILES

C1=CC(=CC(=C1)F)C2=CC(=CC=C2)F

InChI

InChI=1S/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H

InChIKey

GAYJHUJLHJWCTH-UHFFFAOYSA-N

Compound name

1-fluoro-3-(3-fluorophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 208
Patents: 190.0594 Da
Monoisotopic Mass: 3.7
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]+	191.06668	135.2
[M+Na]+	213.04862	144.9
[M-H]-	189.05212	139.9
[M+NH4]+	208.09322	155.0
[M+K]+	229.02256	140.5
[M+H-H2O]+	173.05666	127.0
[M+HCOO]-	235.05760	158.2
[M+CH3COO]-	249.07325	183.8
[M+Na-2H]-	211.03407	141.9
[M]+	190.05885	132.2
[M]-	190.05995	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe