CID 13122877

6,6-dichlorobicyclo[3.1.0]hexan-2-one

Structural Information

Molecular Formula
C6H6Cl2O
SMILES
C1CC(=O)C2C1C2(Cl)Cl
InChI
InChI=1S/C6H6Cl2O/c7-6(8)3-1-2-4(9)5(3)6/h3,5H,1-2H2
InChIKey
FZPNZXJETAMAEC-UHFFFAOYSA-N
Compound name
6,6-dichlorobicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.97957 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.98685 128.2
[M+Na]+ 186.96879 140.9
[M-H]- 162.97229 133.1
[M+NH4]+ 182.01339 149.8
[M+K]+ 202.94273 135.9
[M+H-H2O]+ 146.97683 125.9
[M+HCOO]- 208.97777 141.5
[M+CH3COO]- 222.99342 178.6
[M+Na-2H]- 184.95424 133.9
[M]+ 163.97902 132.5
[M]- 163.98012 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.