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 156.4
[M+Na]+ 294.98992 166.8
[M-H]- 270.99342 163.7
[M+NH4]+ 290.03452 174.8
[M+K]+ 310.96386 162.4
[M+H-H2O]+ 254.99796 152.2
[M+HCOO]- 316.99890 168.6
[M+CH3COO]- 331.01455 194.9
[M+Na-2H]- 292.97537 156.8
[M]+ 272.00015 160.3
[M]- 272.00125 160.3
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.