CID 89076

2,2'-dichlorobenzil

Structural Information

Molecular Formula

C₁₄H₈Cl₂O₂

SMILES

C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl

InChI

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

InChIKey

VOSNNSVWVJFJCR-UHFFFAOYSA-N

Compound name

1,2-bis(2-chlorophenyl)ethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 74
Patents: 277.99014 Da
Monoisotopic Mass: 4.2
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

literature stripe

Patent stripe

patents stripe