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]+ 133.04148 117.8
[M+Na]+ 155.02342 125.8
[M-H]- 131.02692 121.5
[M+NH4]+ 150.06802 134.5
[M+K]+ 170.99736 126.1
[M+H-H2O]+ 115.03146 109.7
[M+HCOO]- 177.03240 136.2
[M+CH3COO]- 191.04805 175.0
[M+Na-2H]- 153.00887 124.2
[M]+ 132.03365 127.8
[M]- 132.03475 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.