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]+ 269.08083 156.7
[M+Na]+ 291.06277 167.3
[M-H]- 267.06627 164.9
[M+NH4]+ 286.10737 172.5
[M+K]+ 307.03671 164.4
[M+H-H2O]+ 251.07081 149.1
[M+HCOO]- 313.07175 178.7
[M+CH3COO]- 327.08740 170.2
[M+Na-2H]- 289.04822 164.4
[M]+ 268.07300 160.6
[M]- 268.07410 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