CID 108145

1,2,3,5,7,8-hexachloronaphthalene

Structural Information

Molecular Formula
C10H2Cl6
SMILES
C1=C2C(=CC(=C(C2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H2Cl6/c11-4-2-6(13)8(14)7-3(4)1-5(12)9(15)10(7)16/h1-2H
InChIKey
JPQLLIUTUFJWMH-UHFFFAOYSA-N
Compound name
1,2,3,5,7,8-hexachloronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

331.82877 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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