CID 2757989

Cyclohexylacetyl chloride

Structural Information

Molecular Formula
C8H13ClO
SMILES
C1CCC(CC1)CC(=O)Cl
InChI
InChI=1S/C8H13ClO/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
VABYVFZVTIDNOA-UHFFFAOYSA-N
Compound name
2-cyclohexylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

919
Patents

160.06549 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.072766 133.4
[M+Na]+ 183.054708 138.9
[M-H]- 159.058214 136.0
[M+NH4]+ 178.099313 154.7
[M+K]+ 199.028648 136.3
[M+H-H2O]+ 143.062750 129.0
[M+HCOO]- 205.063691 148.8
[M+CH3COO]- 219.079341 175.3
[M+Na-2H]- 181.040156 137.5
[M]+ 160.06494142 130.7
[M]- 160.06603858 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