CID 88559113

1-chloro-3-cyclobutylpropan-2-one

Structural Information

Molecular Formula
C7H11ClO
SMILES
C1CC(C1)CC(=O)CCl
InChI
InChI=1S/C7H11ClO/c8-5-7(9)4-6-2-1-3-6/h6H,1-5H2
InChIKey
LGWCGQAGKGOUAS-UHFFFAOYSA-N
Compound name
1-chloro-3-cyclobutylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

146.04984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05712 124.4
[M+Na]+ 169.03906 130.8
[M-H]- 145.04256 127.6
[M+NH4]+ 164.08366 140.2
[M+K]+ 185.01300 131.2
[M+H-H2O]+ 129.04710 115.8
[M+HCOO]- 191.04804 141.5
[M+CH3COO]- 205.06369 177.6
[M+Na-2H]- 167.02451 129.6
[M]+ 146.04929 133.8
[M]- 146.05039 133.8
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

patents stripe