CID 16692

Octachloronaphthalene

Structural Information

Molecular Formula
C10Cl8
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
InChIKey
RTNLUFLDZOAXIC-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octachloronaphthalene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

265
References

955
Patents

399.75082 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.758096 188.2
[M+Na]+ 422.740038 195.6
[M-H]- 398.743544 180.2
[M+NH4]+ 417.784643 196.9
[M+K]+ 438.713978 193.9
[M+H-H2O]+ 382.748080 185.8
[M+HCOO]- 444.749021 170.6
[M+CH3COO]- 458.764671 190.6
[M+Na-2H]- 420.725486 180.5
[M]+ 399.75027142 180.5
[M]- 399.75136858 180.5
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