CID 6181860

Schembl9975962

Structural Information

Molecular Formula
C18H14O3
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H14O3/c1-20-14-9-6-13(7-10-14)8-11-15-12-17(19)16-4-2-3-5-18(16)21-15/h2-12H,1H3/b11-8+
InChIKey
SNRMIADKIKDZCS-DHZHZOJOSA-N
Compound name
2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

278.0943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 161.8
[M+Na]+ 301.08352 171.5
[M-H]- 277.08702 170.6
[M+NH4]+ 296.12812 177.6
[M+K]+ 317.05746 167.7
[M+H-H2O]+ 261.09156 153.6
[M+HCOO]- 323.09250 184.6
[M+CH3COO]- 337.10815 174.8
[M+Na-2H]- 299.06897 169.3
[M]+ 278.09375 165.4
[M]- 278.09485 165.4
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

No patent data available for this compound.