CID 12292907

42156-76-3

Structural Information

Molecular Formula

C₁₄H₈Cl₂O₂

SMILES

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

InChI

InChI=1S/C14H8Cl2O2/c15-10-7-5-9(6-8-10)13(17)11-3-1-2-4-12(11)14(16)18/h1-8H

InChIKey

WUSKUMDOLSBRHW-UHFFFAOYSA-N

Compound name

2-(4-chlorobenzoyl)benzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 277.99014 Da
Monoisotopic Mass: 3.9
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]+	278.99742	154.8
[M+Na]+	300.97936	164.5
[M-H]-	276.98286	161.2
[M+NH4]+	296.02396	172.0
[M+K]+	316.95330	158.3
[M+H-H2O]+	260.98740	149.4
[M+HCOO]-	322.98834	168.4
[M+CH3COO]-	337.00399	196.6
[M+Na-2H]-	298.96481	158.0
[M]+	277.98959	158.5
[M]-	277.99069	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe