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]+ 376.75810 165.2
[M+Na]+ 398.74004 173.3
[M-H]- 374.74354 157.8
[M+NH4]+ 393.78464 173.3
[M+K]+ 414.71398 172.0
[M+H-H2O]+ 358.74808 162.5
[M+HCOO]- 420.74902 149.2
[M+CH3COO]- 434.76467 169.0
[M+Na-2H]- 396.72549 161.6
[M]+ 375.75027 162.9
[M]- 375.75137 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.