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 141.9
[M+Na]+ 231.01833 151.8
[M-H]- 207.02183 149.6
[M+NH4]+ 226.06293 162.3
[M+K]+ 246.99227 148.5
[M+H-H2O]+ 191.02637 136.8
[M+HCOO]- 253.02731 161.7
[M+CH3COO]- 267.04296 182.5
[M+Na-2H]- 229.00378 147.0
[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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.