CID 6435290

Brn 0024987

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 165.3
[M+Na]+ 303.09917 179.4
[M+NH4]+ 298.14377 173.8
[M+K]+ 319.07311 173.1
[M-H]- 279.10267 172.3
[M+Na-2H]- 301.08462 173.9
[M]+ 280.10940 169.3
[M]- 280.11050 169.3
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.