CID 34466

Octachlorostyrene

Structural Information

Molecular Formula
C8Cl8
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12
InChIKey
RUYUCCQRWINUHE-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

67
References

582
Patents

375.75082 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.75810 181.9
[M+Na]+ 398.74004 187.0
[M-H]- 374.74354 173.3
[M+NH4]+ 393.78464 190.0
[M+K]+ 414.71398 184.9
[M+H-H2O]+ 358.74808 179.9
[M+HCOO]- 420.74902 163.9
[M+CH3COO]- 434.76467 219.7
[M+Na-2H]- 396.72549 172.9
[M]+ 375.75027 172.0
[M]- 375.75137 172.0
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