CID 12466589

1-(1-chlorocyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C8H13ClO
SMILES
CC(=O)C1(CCCCC1)Cl
InChI
InChI=1S/C8H13ClO/c1-7(10)8(9)5-3-2-4-6-8/h2-6H2,1H3
InChIKey
WQEGOBASKMQOEJ-UHFFFAOYSA-N
Compound name
1-(1-chlorocyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

160.06549 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.072766 132.4
[M+Na]+ 183.054708 138.9
[M-H]- 159.058214 135.5
[M+NH4]+ 178.099313 155.8
[M+K]+ 199.028648 136.5
[M+H-H2O]+ 143.062750 128.9
[M+HCOO]- 205.063691 147.9
[M+CH3COO]- 219.079341 174.9
[M+Na-2H]- 181.040156 137.6
[M]+ 160.06494142 129.9
[M]- 160.06603858 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe