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]+ 281.11723 163.9
[M+Na]+ 303.09917 170.5
[M-H]- 279.10267 174.1
[M+NH4]+ 298.14377 179.8
[M+K]+ 319.07311 167.1
[M+H-H2O]+ 263.10721 156.1
[M+HCOO]- 325.10815 186.4
[M+CH3COO]- 339.12380 196.7
[M+Na-2H]- 301.08462 166.9
[M]+ 280.10940 163.9
[M]- 280.11050 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.