CID 45080714

2-chloro-1-cyclobutylethan-1-one

Structural Information

Molecular Formula
C6H9ClO
SMILES
C1CC(C1)C(=O)CCl
InChI
InChI=1S/C6H9ClO/c7-4-6(8)5-2-1-3-5/h5H,1-4H2
InChIKey
KLQMFXYLBYWLCX-UHFFFAOYSA-N
Compound name
2-chloro-1-cyclobutylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

132.0342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.041476 119.6
[M+Na]+ 155.023418 126.4
[M-H]- 131.026924 123.0
[M+NH4]+ 150.068023 136.0
[M+K]+ 170.997358 127.1
[M+H-H2O]+ 115.031460 111.2
[M+HCOO]- 177.032401 137.0
[M+CH3COO]- 191.048051 174.7
[M+Na-2H]- 153.008866 125.3
[M]+ 132.03365142 128.6
[M]- 132.03474858 128.6
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