CID 81346

6928-67-2

Structural Information

Molecular Formula

C₁₄H₁₄Cl₄O₄

SMILES

CCCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCCC

InChI

InChI=1S/C14H14Cl4O4/c1-3-5-21-13(19)7-8(14(20)22-6-4-2)10(16)12(18)11(17)9(7)15/h3-6H2,1-2H3

InChIKey

QJRSPJSHRYYBJL-UHFFFAOYSA-N

Compound name

dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 35
Patents: 385.96463 Da
Monoisotopic Mass: 5.9
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]+	386.971906	173.2
[M+Na]+	408.953848	183.4
[M-H]-	384.957354	174.5
[M+NH4]+	403.998453	187.2
[M+K]+	424.927788	178.1
[M+H-H2O]+	368.961890	170.9
[M+HCOO]-	430.962831	175.3
[M+CH3COO]-	444.978481	216.8
[M+Na-2H]-	406.939296	170.4
[M]+	385.96408142	181.8
[M]-	385.96517858	181.8

Literature stripe

literature stripe

Patent stripe

patents stripe