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]+ 223.05203 146.2
[M+Na]+ 245.03397 156.6
[M-H]- 221.03747 154.1
[M+NH4]+ 240.07857 166.4
[M+K]+ 261.00791 153.0
[M+H-H2O]+ 205.04201 141.1
[M+HCOO]- 267.04295 165.7
[M+CH3COO]- 281.05860 186.6
[M+Na-2H]- 243.01942 150.1
[M]+ 222.04420 149.9
[M]- 222.04530 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.