CID 62604203

2-(3,4-dichlorophenyl)cyclopentan-1-one

Structural Information

Molecular Formula
C11H10Cl2O
SMILES
C1CC(C(=O)C1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H10Cl2O/c12-9-5-4-7(6-10(9)13)8-2-1-3-11(8)14/h4-6,8H,1-3H2
InChIKey
NEXVKWCBIWGQTF-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.01086 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01814 148.0
[M+Na]+ 251.00008 158.0
[M-H]- 227.00358 154.1
[M+NH4]+ 246.04468 169.3
[M+K]+ 266.97402 151.9
[M+H-H2O]+ 211.00812 143.4
[M+HCOO]- 273.00906 161.8
[M+CH3COO]- 287.02471 186.7
[M+Na-2H]- 248.98553 149.5
[M]+ 228.01031 148.8
[M]- 228.01141 148.8
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.