CID 176890

17062-87-2

Structural Information

Molecular Formula

C₁₀H₂Cl₆

SMILES

C1=C2C=C(C(=C(C2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C10H2Cl6/c11-4-1-3-2-5(12)8(14)10(16)6(3)9(15)7(4)13/h1-2H

InChIKey

WJYZNPLWZGYFIE-UHFFFAOYSA-N

Compound name

1,2,3,6,7,8-hexachloronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.82877 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]+	332.836046	165.8
[M+Na]+	354.817988	176.5
[M-H]-	330.821494	162.9
[M+NH4]+	349.862593	180.0
[M+K]+	370.791928	171.4
[M+H-H2O]+	314.826030	163.7
[M+HCOO]-	376.826971	157.6
[M+CH3COO]-	390.842621	173.4
[M+Na-2H]-	352.803436	164.2
[M]+	331.82822142	164.6
[M]-	331.82931858	164.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.