CID 506555

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

Structural Information

Molecular Formula
C12H11ClO2
SMILES
CCC1C=C(C(=O)O1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H11ClO2/c1-2-10-7-11(12(14)15-10)8-4-3-5-9(13)6-8/h3-7,10H,2H2,1H3
InChIKey
OYQVNLDTWVZFIB-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-2-ethyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.04475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.052026 146.2
[M+Na]+ 245.033968 156.6
[M-H]- 221.037474 154.1
[M+NH4]+ 240.078573 166.4
[M+K]+ 261.007908 153.0
[M+H-H2O]+ 205.042010 141.1
[M+HCOO]- 267.042951 165.7
[M+CH3COO]- 281.058601 186.6
[M+Na-2H]- 243.019416 150.1
[M]+ 222.04420142 149.9
[M]- 222.04529858 149.9
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.