CID 12466580

1-(1-chlorocyclopentyl)ethan-1-one

Structural Information

Molecular Formula
C7H11ClO
SMILES
CC(=O)C1(CCCC1)Cl
InChI
InChI=1S/C7H11ClO/c1-6(9)7(8)4-2-3-5-7/h2-5H2,1H3
InChIKey
WBAMJSOUOANFPB-UHFFFAOYSA-N
Compound name
1-(1-chlorocyclopentyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

146.04984 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05712 129.8
[M+Na]+ 169.03906 137.6
[M-H]- 145.04256 133.1
[M+NH4]+ 164.08366 155.5
[M+K]+ 185.01300 135.1
[M+H-H2O]+ 129.04710 126.5
[M+HCOO]- 191.04804 147.6
[M+CH3COO]- 205.06369 171.7
[M+Na-2H]- 167.02451 134.1
[M]+ 146.04929 128.8
[M]- 146.05039 128.8
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