CID 579502

3,3'-difluorobenzophenone

Structural Information

Molecular Formula

C₁₃H₈F₂O

SMILES

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

InChI

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

InChIKey

UBJLBNGSWJBOGI-UHFFFAOYSA-N

Compound name

bis(3-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 416
Patents: 218.05432 Da
Monoisotopic Mass: 3.5
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