CID 569563

3,5-difluorobenzophenone

Structural Information

Molecular Formula

C₁₃H₈F₂O

SMILES

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

InChI

InChI=1S/C13H8F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8H

InChIKey

PNRLNUIMFIMZLI-UHFFFAOYSA-N

Compound name

(3,5-difluorophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 218.05432 Da
Monoisotopic Mass: 3.6
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]+	219.06160	148.0
[M+Na]+	241.04354	161.7
[M+NH4]+	236.08814	155.9
[M+K]+	257.01748	154.0
[M-H]-	217.04704	150.0
[M+Na-2H]-	239.02899	156.6
[M]+	218.05377	150.5
[M]-	218.05487	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe