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]+ 269.08083 156.4
[M+Na]+ 291.06277 166.4
[M-H]- 267.06627 165.5
[M+NH4]+ 286.10737 172.6
[M+K]+ 307.03671 164.4
[M+H-H2O]+ 251.07081 148.3
[M+HCOO]- 313.07175 179.9
[M+CH3COO]- 327.08740 196.9
[M+Na-2H]- 289.04822 165.1
[M]+ 268.07300 161.6
[M]- 268.07410 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.