CID 3068213

Trans-4-acetyl-5-(2,6-dichlorophenyl)-4,5-dihydro-2(3h)-furanone

Structural Information

Molecular Formula
C12H10Cl2O3
SMILES
CC(=O)C1CC(=O)OC1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H10Cl2O3/c1-6(15)7-5-10(16)17-12(7)11-8(13)3-2-4-9(11)14/h2-4,7,12H,5H2,1H3
InChIKey
HKIXLCQZQIUSOR-UHFFFAOYSA-N
Compound name
4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0007 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.00798 153.9
[M+Na]+ 294.98992 167.9
[M+NH4]+ 290.03452 162.3
[M+K]+ 310.96386 163.0
[M-H]- 270.99342 157.8
[M+Na-2H]- 292.97537 159.3
[M]+ 272.00015 157.6
[M]- 272.00125 157.6
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.