CID 678308

4767-61-7

Structural Information

Molecular Formula
C16H12O3
SMILES
COC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)19-15/h2-10H,1H3/b15-10-
InChIKey
XBPLURLJIACOAL-GDNBJRDFSA-N
Compound name
(3Z)-3-[(4-methoxyphenyl)methylidene]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

28
Patents

252.07864 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 154.3
[M+Na]+ 275.06786 163.8
[M-H]- 251.07136 163.2
[M+NH4]+ 270.11246 173.1
[M+K]+ 291.04180 160.6
[M+H-H2O]+ 235.07590 147.8
[M+HCOO]- 297.07684 177.3
[M+CH3COO]- 311.09249 168.1
[M+Na-2H]- 273.05331 159.4
[M]+ 252.07809 156.8
[M]- 252.07919 156.8
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.