CID 506559

4-(3-chlorophenyl)-2-pentyl-2h-furan-5-one

Structural Information

Molecular Formula
C15H17ClO2
SMILES
CCCCCC1C=C(C(=O)O1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H17ClO2/c1-2-3-4-8-13-10-14(15(17)18-13)11-6-5-7-12(16)9-11/h5-7,9-10,13H,2-4,8H2,1H3
InChIKey
CCIGBQLBLBEQOY-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.0917 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09898 160.6
[M+Na]+ 287.08092 169.7
[M-H]- 263.08442 168.0
[M+NH4]+ 282.12552 179.0
[M+K]+ 303.05486 165.4
[M+H-H2O]+ 247.08896 154.9
[M+HCOO]- 309.08990 179.0
[M+CH3COO]- 323.10555 195.6
[M+Na-2H]- 285.06637 162.8
[M]+ 264.09115 165.4
[M]- 264.09225 165.4
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

No patent data available for this compound.