CID 583435

2-chlorocyclopentane-1,3-dione

Structural Information

Molecular Formula
C5H5ClO2
SMILES
C1CC(=O)C(C1=O)Cl
InChI
InChI=1S/C5H5ClO2/c6-5-3(7)1-2-4(5)8/h5H,1-2H2
InChIKey
FWDLMRDORLZFOZ-UHFFFAOYSA-N
Compound name
2-chlorocyclopentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

131.9978 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.00508 121.4
[M+Na]+ 154.98702 131.5
[M-H]- 130.99052 125.4
[M+NH4]+ 150.03162 146.2
[M+K]+ 170.96096 128.9
[M+H-H2O]+ 114.99506 118.1
[M+HCOO]- 176.99600 141.2
[M+CH3COO]- 191.01165 168.5
[M+Na-2H]- 152.97247 125.7
[M]+ 131.99725 121.6
[M]- 131.99835 121.6
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