CID 107818

Heptachloronaphthalene

Structural Information

Molecular Formula
C10HCl7
SMILES
C1=C2C(=C(C(=C1Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C10HCl7/c11-3-1-2-4(7(14)6(3)13)8(15)10(17)9(16)5(2)12/h1H
InChIKey
NDZIBNJHNBUHKW-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7-heptachloronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

365.7898 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.79708 176.6
[M+Na]+ 388.77902 185.8
[M-H]- 364.78252 171.0
[M+NH4]+ 383.82362 188.0
[M+K]+ 404.75296 182.2
[M+H-H2O]+ 348.78706 174.4
[M+HCOO]- 410.78800 163.3
[M+CH3COO]- 424.80365 181.6
[M+Na-2H]- 386.76447 171.9
[M]+ 365.78925 172.3
[M]- 365.79035 172.3
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