CID 59040

4-chloromethyl-3-phenyl-2(5h)-furanone

Structural Information

Molecular Formula
C11H9ClO2
SMILES
C1C(=C(C(=O)O1)C2=CC=CC=C2)CCl
InChI
InChI=1S/C11H9ClO2/c12-6-9-7-14-11(13)10(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
AHXXHLIYVGJQHD-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4-phenyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.02911 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03639 140.9
[M+Na]+ 231.01833 155.6
[M+NH4]+ 226.06293 150.5
[M+K]+ 246.99227 149.9
[M-H]- 207.02183 146.2
[M+Na-2H]- 229.00378 148.8
[M]+ 208.02856 144.9
[M]- 208.02966 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.