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

literature stripe

Patent stripe

patents stripe