CID 23546

7158-32-9

Structural Information

Molecular Formula

C₁₄H₈Cl₂O₃

SMILES

C1=CC(=CC=C1C(=O)Cl)OC2=CC=C(C=C2)C(=O)Cl

InChI

InChI=1S/C14H8Cl2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H

InChIKey

OSUWBBMPVXVSOA-UHFFFAOYSA-N

Compound name

4-(4-carbonochloridoylphenoxy)benzoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2174
Patents: 293.98505 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]+	294.99233	159.2
[M+Na]+	316.97427	175.2
[M+NH4]+	312.01887	167.7
[M+K]+	332.94821	167.3
[M-H]-	292.97777	162.9
[M+Na-2H]-	314.95972	168.3
[M]+	293.98450	163.2
[M]-	293.98560	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe