CID 12466586

2-chloro-1-cyclohexylethan-1-one

Structural Information

Molecular Formula
C8H13ClO
SMILES
C1CCC(CC1)C(=O)CCl
InChI
InChI=1S/C8H13ClO/c9-6-8(10)7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
XQRGPXLSPCQVBC-UHFFFAOYSA-N
Compound name
2-chloro-1-cyclohexylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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 133.4
[M+Na]+ 183.05471 138.9
[M-H]- 159.05821 136.0
[M+NH4]+ 178.09931 154.7
[M+K]+ 199.02865 136.3
[M+H-H2O]+ 143.06275 129.0
[M+HCOO]- 205.06369 148.8
[M+CH3COO]- 219.07934 175.3
[M+Na-2H]- 181.04016 137.5
[M]+ 160.06494 130.7
[M]- 160.06604 130.7
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