CID 3252766

Perchlorobenzocyclobutene

Structural Information

Molecular Formula
C8Cl8
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(C2(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C8Cl8/c9-3-1-2(4(10)6(12)5(3)11)8(15,16)7(1,13)14
InChIKey
JATPHMVVYDEPKY-UHFFFAOYSA-N
Compound name
2,3,4,5,7,7,8,8-octachlorobicyclo[4.2.0]octa-1(6),2,4-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.75082 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.758096 165.2
[M+Na]+ 398.740038 173.3
[M-H]- 374.743544 157.8
[M+NH4]+ 393.784643 173.3
[M+K]+ 414.713978 172.0
[M+H-H2O]+ 358.748080 162.5
[M+HCOO]- 420.749021 149.2
[M+CH3COO]- 434.764671 169.0
[M+Na-2H]- 396.725486 161.6
[M]+ 375.75027142 162.9
[M]- 375.75136858 162.9
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

No patent data available for this compound.