CID 506537

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
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]+ 209.03639 141.4
[M+Na]+ 231.01833 152.2
[M-H]- 207.02183 149.5
[M+NH4]+ 226.06293 162.1
[M+K]+ 246.99227 148.9
[M+H-H2O]+ 191.02637 136.5
[M+HCOO]- 253.02731 161.2
[M+CH3COO]- 267.04296 183.6
[M+Na-2H]- 229.00378 145.9
[M]+ 208.02856 144.8
[M]- 208.02966 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.