CID 108177

1,2,3,4,5,6-hexachloronaphthalene

Structural Information

Molecular Formula
C10H2Cl6
SMILES
C1=CC(=C(C2=C1C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H2Cl6/c11-4-2-1-3-5(7(4)13)8(14)10(16)9(15)6(3)12/h1-2H
InChIKey
CTLMCQOGOWNFHA-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexachloronaphthalene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

18
References

64
Patents

331.82877 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.83605 165.8
[M+Na]+ 354.81799 176.5
[M-H]- 330.82149 162.9
[M+NH4]+ 349.86259 180.0
[M+K]+ 370.79193 171.4
[M+H-H2O]+ 314.82603 163.7
[M+HCOO]- 376.82697 157.6
[M+CH3COO]- 390.84262 173.4
[M+Na-2H]- 352.80344 164.2
[M]+ 331.82822 164.6
[M]- 331.82932 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe