CID 112350

69943-47-1

Structural Information

Molecular Formula

C₁₃H₈ClFO

SMILES

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

InChI

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

InChIKey

DIUCEDHZWIRJDI-UHFFFAOYSA-N

Compound name

(2-chloro-4-fluorophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
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]+	235.032046	145.5
[M+Na]+	257.013988	155.4
[M-H]-	233.017494	151.2
[M+NH4]+	252.058593	164.2
[M+K]+	272.987928	149.8
[M+H-H2O]+	217.022030	138.6
[M+HCOO]-	279.022971	164.1
[M+CH3COO]-	293.038621	189.8
[M+Na-2H]-	254.999436	150.5
[M]+	234.02422142	146.3
[M]-	234.02531858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe