CID 506556

4-(3,4-dichlorophenyl)-2-ethyl-2h-furan-5-one

Structural Information

Molecular Formula
C12H10Cl2O2
SMILES
CCC1C=C(C(=O)O1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H10Cl2O2/c1-2-8-6-9(12(15)16-8)7-3-4-10(13)11(14)5-7/h3-6,8H,2H2,1H3
InChIKey
HSDRNBPQEFHSQS-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-2-ethyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.0058 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01308 153.6
[M+Na]+ 278.99502 165.1
[M-H]- 254.99852 161.0
[M+NH4]+ 274.03962 172.9
[M+K]+ 294.96896 160.1
[M+H-H2O]+ 239.00306 149.2
[M+HCOO]- 301.00400 167.7
[M+CH3COO]- 315.01965 192.4
[M+Na-2H]- 276.98047 155.8
[M]+ 256.00525 158.7
[M]- 256.00635 158.7
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.