CID 506542

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

Structural Information

Molecular Formula
C11H9FO2
SMILES
CC1C=C(C(=O)O1)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H9FO2/c1-7-6-10(11(13)14-7)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKey
MSEYJNVWLXFZPU-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

192.05865 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06593 136.0
[M+Na]+ 215.04787 146.1
[M-H]- 191.05137 143.0
[M+NH4]+ 210.09247 156.5
[M+K]+ 231.02181 144.3
[M+H-H2O]+ 175.05591 129.7
[M+HCOO]- 237.05685 159.5
[M+CH3COO]- 251.07250 182.5
[M+Na-2H]- 213.03332 140.6
[M]+ 192.05810 136.3
[M]- 192.05920 136.3
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.