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]+ 147.057116 124.4
[M+Na]+ 169.039058 130.8
[M-H]- 145.042564 127.6
[M+NH4]+ 164.083663 140.2
[M+K]+ 185.012998 131.2
[M+H-H2O]+ 129.047100 115.8
[M+HCOO]- 191.048041 141.5
[M+CH3COO]- 205.063691 177.6
[M+Na-2H]- 167.024506 129.6
[M]+ 146.04929142 133.8
[M]- 146.05038858 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