CID 12857317

Naphthalene, 1,1,2,3,4,4,5,6,7,8-decachloro-1,4-dihydro-

Structural Information

Molecular Formula
C10Cl10
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(C(=C(C2(Cl)Cl)Cl)Cl)(Cl)Cl
InChI
InChI=1S/C10Cl10/c11-3-1-2(4(12)6(14)5(3)13)10(19,20)8(16)7(15)9(1,17)18
InChIKey
WYCPCMTWSJGXLE-UHFFFAOYSA-N
Compound name
1,1,2,3,4,4,5,6,7,8-decachloronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

469.68854 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.695816 205.4
[M+Na]+ 492.677758 208.1
[M-H]- 468.681264 193.1
[M+NH4]+ 487.722363 210.4
[M+K]+ 508.651698 209.9
[M+H-H2O]+ 452.685800 202.8
[M+HCOO]- 514.686741 181.1
[M+CH3COO]- 528.702391 202.6
[M+Na-2H]- 490.663206 194.0
[M]+ 469.68799142 189.5
[M]- 469.68908858 189.5
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