CID 12814

Octachlorocyclopentene

Structural Information

Molecular Formula
C5Cl8
SMILES
C1(=C(C(C(C1(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C5Cl8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKey
DMZRCHJVWAKCAX-UHFFFAOYSA-N
Compound name
1,2,3,3,4,4,5,5-octachlorocyclopentene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

232
Patents

339.75082 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.75810 172.6
[M+Na]+ 362.74004 178.5
[M-H]- 338.74354 164.5
[M+NH4]+ 357.78464 186.2
[M+K]+ 378.71398 176.0
[M+H-H2O]+ 322.74808 171.9
[M+HCOO]- 384.74902 156.2
[M+CH3COO]- 398.76467 175.6
[M+Na-2H]- 360.72549 167.0
[M]+ 339.75027 161.0
[M]- 339.75137 161.0
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