CID 634711

Acenaphthylene, octachloro-

Structural Information

Molecular Formula
C12Cl8
SMILES
C12=C3C(=C(C(=C1C(=C(C2=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12Cl8/c13-5-2-1-3(6(5)14)8(16)12(20)10(18)4(1)9(17)11(19)7(2)15
InChIKey
ZAFNYNRBTOVYPF-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octachloroacenaphthylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

423.75082 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.758096 201.8
[M+Na]+ 446.740038 210.2
[M-H]- 422.743544 194.0
[M+NH4]+ 441.784643 211.9
[M+K]+ 462.713978 207.9
[M+H-H2O]+ 406.748080 198.9
[M+HCOO]- 468.749021 183.8
[M+CH3COO]- 482.764671 203.8
[M+Na-2H]- 444.725486 192.6
[M]+ 423.75027142 195.8
[M]- 423.75136858 195.8
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