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

4
Patents

146.04984 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.057116 129.8
[M+Na]+ 169.039058 137.6
[M-H]- 145.042564 133.1
[M+NH4]+ 164.083663 155.5
[M+K]+ 185.012998 135.1
[M+H-H2O]+ 129.047100 126.5
[M+HCOO]- 191.048041 147.6
[M+CH3COO]- 205.063691 171.7
[M+Na-2H]- 167.024506 134.1
[M]+ 146.04929142 128.8
[M]- 146.05038858 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