CID 5523073

Brn 5439448

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C16H12O4/c1-10-4-2-3-5-13(10)20-15-9-19-14-8-11(17)6-7-12(14)16(15)18/h2-9,17H,1H3
InChIKey
YVQOTKFKTMZTDH-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(2-methylphenoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 156.7
[M+Na]+ 291.062768 167.3
[M-H]- 267.066274 164.9
[M+NH4]+ 286.107373 172.5
[M+K]+ 307.036708 164.4
[M+H-H2O]+ 251.070810 149.1
[M+HCOO]- 313.071751 178.7
[M+CH3COO]- 327.087401 170.2
[M+Na-2H]- 289.048216 164.4
[M]+ 268.07300142 160.6
[M]- 268.07409858 160.6
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

patents stripe