CID 80146045

1-chloro-3-cyclopentylpropan-2-one

Structural Information

Molecular Formula
C8H13ClO
SMILES
C1CCC(C1)CC(=O)CCl
InChI
InChI=1S/C8H13ClO/c9-6-8(10)5-7-3-1-2-4-7/h7H,1-6H2
InChIKey
QJJUOIGZCUOOCE-UHFFFAOYSA-N
Compound name
1-chloro-3-cyclopentylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.06549 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07277 136.1
[M+Na]+ 183.05471 142.5
[M-H]- 159.05821 138.8
[M+NH4]+ 178.09931 159.1
[M+K]+ 199.02865 139.7
[M+H-H2O]+ 143.06275 131.6
[M+HCOO]- 205.06369 153.4
[M+CH3COO]- 219.07934 175.1
[M+Na-2H]- 181.04016 138.6
[M]+ 160.06494 135.2
[M]- 160.06604 135.2
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