CID 587573

2-chlorobenzoic anhydride

Structural Information

Molecular Formula

C₁₄H₈Cl₂O₃

SMILES

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

InChI

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

InChIKey

OLENANGIJWDOPG-UHFFFAOYSA-N

Compound name

(2-chlorobenzoyl) 2-chlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
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	159.4
[M+Na]+	316.97427	175.5
[M+NH4]+	312.01887	168.0
[M+K]+	332.94821	167.5
[M-H]-	292.97777	163.1
[M+Na-2H]-	314.95972	168.5
[M]+	293.98450	163.5
[M]-	293.98560	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe