CID 68806

5-chloro-6-cyclohexyl-2,3-dihydrobenzofuran-2-one

Structural Information

Molecular Formula
C14H15ClO2
SMILES
C1CCC(CC1)C2=C(C=C3CC(=O)OC3=C2)Cl
InChI
InChI=1S/C14H15ClO2/c15-12-6-10-7-14(16)17-13(10)8-11(12)9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKey
FFPGKSCPXZYKFO-UHFFFAOYSA-N
Compound name
5-chloro-6-cyclohexyl-3H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

250.07605 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08333 155.7
[M+Na]+ 273.06527 163.5
[M-H]- 249.06877 163.3
[M+NH4]+ 268.10987 175.2
[M+K]+ 289.03921 159.4
[M+H-H2O]+ 233.07331 150.1
[M+HCOO]- 295.07425 169.9
[M+CH3COO]- 309.08990 168.1
[M+Na-2H]- 271.05072 158.2
[M]+ 250.07550 154.6
[M]- 250.07660 154.6
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

No patent data available for this compound.