CID 3068210

Trans-4-acetyl-5-(p-chlorophenyl)-4,5-dihydro-2(3h)-furanone

Structural Information

Molecular Formula
C12H11ClO3
SMILES
CC(=O)C1CC(=O)OC1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClO3/c1-7(14)10-6-11(15)16-12(10)8-2-4-9(13)5-3-8/h2-5,10,12H,6H2,1H3
InChIKey
BVGNFJBMPNFDNU-UHFFFAOYSA-N
Compound name
4-acetyl-5-(4-chlorophenyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.03967 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04695 148.5
[M+Na]+ 261.02889 161.6
[M+NH4]+ 256.07349 156.9
[M+K]+ 277.00283 157.4
[M-H]- 237.03239 152.6
[M+Na-2H]- 259.01434 154.1
[M]+ 238.03912 151.7
[M]- 238.04022 151.7
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.