CID 19796921

68631-02-7

Structural Information

Molecular Formula

C₁₄H₈Cl₆

SMILES

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

InChI

InChI=1S/C14H8Cl6/c15-11-7-3-1-5-9(11)13(17,14(18,19)20)10-6-2-4-8-12(10)16/h1-8H

InChIKey

GPYBXJIOGFTXRX-UHFFFAOYSA-N

Compound name

1-chloro-2-[1,2,2,2-tetrachloro-1-(2-chlorophenyl)ethyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 385.8757 Da
Monoisotopic Mass: 6.9
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]+	386.882976	184.5
[M+Na]+	408.864918	191.6
[M-H]-	384.868424	182.9
[M+NH4]+	403.909523	195.1
[M+K]+	424.838858	185.9
[M+H-H2O]+	368.872960	179.5
[M+HCOO]-	430.873901	173.7
[M+CH3COO]-	444.889551	215.2
[M+Na-2H]-	406.850366	183.5
[M]+	385.87515142	181.8
[M]-	385.87624858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe