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]+ 161.072766 136.1
[M+Na]+ 183.054708 142.5
[M-H]- 159.058214 138.8
[M+NH4]+ 178.099313 159.1
[M+K]+ 199.028648 139.7
[M+H-H2O]+ 143.062750 131.6
[M+HCOO]- 205.063691 153.4
[M+CH3COO]- 219.079341 175.1
[M+Na-2H]- 181.040156 138.6
[M]+ 160.06494142 135.2
[M]- 160.06603858 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