CID 506544

4-(3,4-difluorophenyl)-2-methyl-2h-furan-5-one

Structural Information

Molecular Formula
C11H8F2O2
SMILES
CC1C=C(C(=O)O1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C11H8F2O2/c1-6-4-8(11(14)15-6)7-2-3-9(12)10(13)5-7/h2-6H,1H3
InChIKey
YWUIWOXKJLMHRA-UHFFFAOYSA-N
Compound name
4-(3,4-difluorophenyl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.04924 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05652 138.5
[M+Na]+ 233.03846 149.6
[M-H]- 209.04196 144.5
[M+NH4]+ 228.08306 158.5
[M+K]+ 249.01240 147.3
[M+H-H2O]+ 193.04650 131.4
[M+HCOO]- 255.04744 160.9
[M+CH3COO]- 269.06309 186.5
[M+Na-2H]- 231.02391 141.8
[M]+ 210.04869 138.1
[M]- 210.04979 138.1
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.