CID 14251073

19829-42-6

Structural Information

Molecular Formula

C₁₆H₁₂Cl₂O₄

SMILES

C1=CC(=CC=C1COC(=O)C(=O)OCC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H12Cl2O4/c17-13-5-1-11(2-6-13)9-21-15(19)16(20)22-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2

InChIKey

QWHCTYYBLDCYIT-UHFFFAOYSA-N

Compound name

bis[(4-chlorophenyl)methyl] oxalate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2120
Patents: 338.01126 Da
Monoisotopic Mass: 4.6
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]+	339.018536	170.0
[M+Na]+	361.000478	178.9
[M-H]-	337.003984	176.3
[M+NH4]+	356.045083	185.0
[M+K]+	376.974418	173.7
[M+H-H2O]+	321.008520	164.0
[M+HCOO]-	383.009461	183.6
[M+CH3COO]-	397.025111	204.6
[M+Na-2H]-	358.985926	172.3
[M]+	338.01071142	177.2
[M]-	338.01180858	177.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe