CID 107698

1,2,3,4,6,7-hexachloronaphthalene

Structural Information

Molecular Formula
C10H2Cl6
SMILES
C1=C2C(=CC(=C1Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H2Cl6/c11-5-1-3-4(2-6(5)12)8(14)10(16)9(15)7(3)13/h1-2H
InChIKey
ZRNSVEOEIWQEMU-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7-hexachloronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

331.82877 Da
Monoisotopic Mass

7.0
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

No patent data available for this compound.