CID 110687

2,3,4,4,5-pentachlorocyclopent-2-en-1-one

Structural Information

Molecular Formula
C5HCl5O
SMILES
C1(C(=O)C(=C(C1(Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C5HCl5O/c6-1-2(11)4(8)5(9,10)3(1)7/h4H
InChIKey
OCLLQGWDUVFOFT-UHFFFAOYSA-N
Compound name
2,3,4,4,5-pentachlorocyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.847 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.85428 146.9
[M+Na]+ 274.83622 158.0
[M-H]- 250.83972 145.9
[M+NH4]+ 269.88082 167.0
[M+K]+ 290.81016 152.4
[M+H-H2O]+ 234.84426 146.2
[M+HCOO]- 296.84520 145.3
[M+CH3COO]- 310.86085 192.9
[M+Na-2H]- 272.82167 146.4
[M]+ 251.84645 145.7
[M]- 251.84755 145.7
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