CID 184909

88966-68-1

Structural Information

Molecular Formula

C₁₄H₁₀Cl₄

SMILES

CCC1=CC=C(C=C1)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl

InChI

InChI=1S/C14H10Cl4/c1-2-8-3-5-9(6-4-8)10-7-11(15)13(17)14(18)12(10)16/h3-7H,2H2,1H3

InChIKey

NAHFEMLUGSJKTG-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrachloro-5-(4-ethylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.95367 Da
Monoisotopic Mass: 7.2
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]+	318.960946	164.2
[M+Na]+	340.942888	175.7
[M-H]-	316.946394	167.5
[M+NH4]+	335.987493	180.2
[M+K]+	356.916828	168.0
[M+H-H2O]+	300.950930	160.0
[M+HCOO]-	362.951871	167.4
[M+CH3COO]-	376.967521	174.9
[M+Na-2H]-	338.928336	164.7
[M]+	317.95312142	167.7
[M]-	317.95421858	167.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.