CID 506540

2(5h)-furanone, 3-(3,4-dichlorophenyl)-5-methyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
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

patents stripe