CID 6478

Hexachlorocyclopentadiene

Structural Information

Molecular Formula
C5Cl6
SMILES
C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8
InChIKey
VUNCWTMEJYMOOR-UHFFFAOYSA-N
Compound name
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

39
References

4234
Patents

269.8131 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.82038 154.9
[M+Na]+ 292.80232 164.9
[M-H]- 268.80582 151.4
[M+NH4]+ 287.84692 172.6
[M+K]+ 308.77626 159.9
[M+H-H2O]+ 252.81036 153.7
[M+HCOO]- 314.81130 148.5
[M+CH3COO]- 328.82695 163.2
[M+Na-2H]- 290.78777 152.8
[M]+ 269.81255 151.3
[M]- 269.81365 151.3
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