CID 506538

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

Structural Information

Molecular Formula
C11H9ClO2
SMILES
CC1C=C(C(=O)O1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H9ClO2/c1-7-5-10(11(13)14-7)8-3-2-4-9(12)6-8/h2-7H,1H3
InChIKey
PQVNHYBJOSLUCB-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.02911 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.036386 141.4
[M+Na]+ 231.018328 152.2
[M-H]- 207.021834 149.5
[M+NH4]+ 226.062933 162.1
[M+K]+ 246.992268 148.9
[M+H-H2O]+ 191.026370 136.5
[M+HCOO]- 253.027311 161.2
[M+CH3COO]- 267.042961 183.6
[M+Na-2H]- 229.003776 145.9
[M]+ 208.02856142 144.8
[M]- 208.02965858 144.8
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.