CID 96094

Bis(4-fluorophenyl)methane

Structural Information

Molecular Formula

C₁₃H₁₀F₂

SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)F)F

InChI

InChI=1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2

InChIKey

DXQVFHQUHOFROC-UHFFFAOYSA-N

Compound name

1-fluoro-4-[(4-fluorophenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 652
Patents: 204.07506 Da
Monoisotopic Mass: 3.8
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]+	205.08234	145.3
[M+Na]+	227.06428	159.8
[M+NH4]+	222.10888	154.2
[M+K]+	243.03822	150.9
[M-H]-	203.06778	148.2
[M+Na-2H]-	225.04973	154.8
[M]+	204.07451	148.3
[M]-	204.07561	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe