CID 100979

2,6-difluorobenzophenone

Structural Information

Molecular Formula

C₁₃H₈F₂O

SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2F)F

InChI

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

InChIKey

KTRGJHDNHIPMEY-UHFFFAOYSA-N

Compound name

(2,6-difluorophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 61
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	142.6
[M+Na]+	241.04354	151.7
[M-H]-	217.04704	147.2
[M+NH4]+	236.08814	160.9
[M+K]+	257.01748	147.5
[M+H-H2O]+	201.05158	134.0
[M+HCOO]-	263.05252	164.6
[M+CH3COO]-	277.06817	188.8
[M+Na-2H]-	239.02899	147.4
[M]+	218.05377	140.0
[M]-	218.05487	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe