CID 506541

4-(2,4-dichlorophenyl)-2-methyl-2h-furan-5-one

Structural Information

Molecular Formula
C11H8Cl2O2
SMILES
CC1C=C(C(=O)O1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H8Cl2O2/c1-6-4-9(11(14)15-6)8-3-2-7(12)5-10(8)13/h2-6H,1H3
InChIKey
KHLUVGFWDMXKAR-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.99013 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99741 148.8
[M+Na]+ 264.97935 160.7
[M-H]- 240.98285 156.3
[M+NH4]+ 260.02395 168.7
[M+K]+ 280.95329 156.0
[M+H-H2O]+ 224.98739 144.6
[M+HCOO]- 286.98833 163.3
[M+CH3COO]- 301.00398 189.5
[M+Na-2H]- 262.96480 151.6
[M]+ 241.98958 153.5
[M]- 241.99068 153.5
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.