CID 284759

2,4-dichloro-4'-fluorobenzophenone

Structural Information

Molecular Formula

C₁₃H₇Cl₂FO

SMILES

C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)F

InChI

InChI=1S/C13H7Cl2FO/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7H

InChIKey

UVAKGOJIHCGXID-UHFFFAOYSA-N

Compound name

(2,4-dichlorophenyl)-(4-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 267.9858 Da
Monoisotopic Mass: 4.5
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]+	268.99308	150.5
[M+Na]+	290.97502	161.7
[M-H]-	266.97852	155.8
[M+NH4]+	286.01962	168.6
[M+K]+	306.94896	154.8
[M+H-H2O]+	250.98306	144.5
[M+HCOO]-	312.98400	164.0
[M+CH3COO]-	326.99965	195.4
[M+Na-2H]-	288.96047	154.1
[M]+	267.98525	153.1
[M]-	267.98635	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe