CID 74547

2-chloro-4'-fluorobenzophenone

Structural Information

Molecular Formula

C₁₃H₈ClFO

SMILES

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

InChI

InChI=1S/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H

InChIKey

DODIKYQYCCFWRZ-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-(4-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 191
Patents: 234.02477 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]+	235.03205	147.5
[M+Na]+	257.01399	163.4
[M+NH4]+	252.05859	156.8
[M+K]+	272.98793	154.7
[M-H]-	233.01749	151.2
[M+Na-2H]-	254.99944	157.4
[M]+	234.02422	151.2
[M]-	234.02532	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe