CID 142641092

858442-42-9

Structural Information

Molecular Formula

C₁₄H₁₄Cl₄O₄

SMILES

C1=CC=C(C(=C1)C(=O)OC(CCl)CCl)C(=O)OC(CCl)CCl

InChI

InChI=1S/C14H14Cl4O4/c15-5-9(6-16)21-13(19)11-3-1-2-4-12(11)14(20)22-10(7-17)8-18/h1-4,9-10H,5-8H2

InChIKey

AVOYSSYRFWPOOB-UHFFFAOYSA-N

Compound name

bis(1,3-dichloropropan-2-yl) benzene-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 385.96463 Da
Monoisotopic Mass: 3.7
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	173.1
[M+Na]+	408.953848	179.8
[M-H]-	384.957354	173.6
[M+NH4]+	403.998453	186.0
[M+K]+	424.927788	174.9
[M+H-H2O]+	368.961890	170.2
[M+HCOO]-	430.962831	173.7
[M+CH3COO]-	444.978481	213.8
[M+Na-2H]-	406.939296	170.9
[M]+	385.96408142	179.8
[M]-	385.96517858	179.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe