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

patents stripe