CID 131148347

2-(2-chloroethyl)cyclobutan-1-one

Structural Information

Molecular Formula
C6H9ClO
SMILES
C1CC(=O)C1CCCl
InChI
InChI=1S/C6H9ClO/c7-4-3-5-1-2-6(5)8/h5H,1-4H2
InChIKey
OUNAGPRPSGQQLA-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.0342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.041476 117.8
[M+Na]+ 155.023418 125.8
[M-H]- 131.026924 121.5
[M+NH4]+ 150.068023 134.5
[M+K]+ 170.997358 126.1
[M+H-H2O]+ 115.031460 109.7
[M+HCOO]- 177.032401 136.2
[M+CH3COO]- 191.048051 175.0
[M+Na-2H]- 153.008866 124.2
[M]+ 132.03365142 127.8
[M]- 132.03474858 127.8
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.