CID 746327

Brn 5343645

Structural Information

Molecular Formula
C16H12O4
SMILES
COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3
InChI
InChI=1S/C16H12O4/c1-18-12-7-8-13-14(9-12)19-10-15(16(13)17)20-11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
ZGTJGDONIKWWKA-UHFFFAOYSA-N
Compound name
7-methoxy-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3
Patents

268.07355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.080826 156.4
[M+Na]+ 291.062768 166.4
[M-H]- 267.066274 165.5
[M+NH4]+ 286.107373 172.6
[M+K]+ 307.036708 164.4
[M+H-H2O]+ 251.070810 148.3
[M+HCOO]- 313.071751 179.9
[M+CH3COO]- 327.087401 196.9
[M+Na-2H]- 289.048216 165.1
[M]+ 268.07300142 161.6
[M]- 268.07409858 161.6
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