PubChemLite - [5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate (C19H15Cl3O5)

Structural Information

Molecular Formula

SMILES

C1C(C(OC1Cl)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15Cl3O5/c20-13-5-1-11(2-6-13)18(23)25-10-16-15(9-17(22)26-16)27-19(24)12-3-7-14(21)8-4-12/h1-8,15-17H,9-10H2

InChIKey

QEHCZULNFYDPPL-UHFFFAOYSA-N

Compound name

[5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate

Related CIDs

2D Structure

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]+	429.00578	193.6
[M+Na]+	450.98772	201.8
[M-H]-	426.99122	202.4
[M+NH4]+	446.03232	205.4
[M+K]+	466.96166	197.2
[M+H-H2O]+	410.99576	187.6
[M+HCOO]-	472.99670	199.1
[M+CH3COO]-	487.01235	219.6
[M+Na-2H]-	448.97317	190.6
[M]+	427.99795	200.5
[M]-	427.99905	200.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.00578

193.6

[M+Na]+

450.98772

201.8

[M-H]-

426.99122

202.4

[M+NH4]+

446.03232

205.4

[M+K]+

466.96166

197.2

[M+H-H2O]+

410.99576

187.6

[M+HCOO]-

472.99670

199.1

[M+CH3COO]-

487.01235

219.6

[M+Na-2H]-

448.97317

190.6

[M]+

427.99795

200.5

[M]-

427.99905

200.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe