CID 6435290

2(3h)-furanone, 3-(p-benzyloxybenzylidene)dihydro-

Structural Information

Molecular Formula
C18H16O3
SMILES
C\1COC(=O)/C1=C\C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H16O3/c19-18-16(10-11-20-18)12-14-6-8-17(9-7-14)21-13-15-4-2-1-3-5-15/h1-9,12H,10-11,13H2/b16-12-
InChIKey
LIFZGKQOLVLZKE-VBKFSLOCSA-N
Compound name
(3Z)-3-[(4-phenylmethoxyphenyl)methylidene]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10995 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.117226 163.9
[M+Na]+ 303.099168 170.5
[M-H]- 279.102674 174.1
[M+NH4]+ 298.143773 179.8
[M+K]+ 319.073108 167.1
[M+H-H2O]+ 263.107210 156.1
[M+HCOO]- 325.108151 186.4
[M+CH3COO]- 339.123801 196.7
[M+Na-2H]- 301.084616 166.9
[M]+ 280.10940142 163.9
[M]- 280.11049858 163.9
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.