CID 905634

Brn 5449243

Structural Information

Molecular Formula
C18H14O6
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC(=C3)OC
InChI
InChI=1S/C18H14O6/c1-11(19)23-14-6-7-15-16(9-14)22-10-17(18(15)20)24-13-5-3-4-12(8-13)21-2/h3-10H,1-2H3
InChIKey
SDGQFJGPOCCOKS-UHFFFAOYSA-N
Compound name
[3-(3-methoxyphenoxy)-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

326.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08632 170.4
[M+Na]+ 349.06826 186.3
[M+NH4]+ 344.11286 177.5
[M+K]+ 365.04220 180.0
[M-H]- 325.07176 175.6
[M+Na-2H]- 347.05371 178.0
[M]+ 326.07849 174.3
[M]- 326.07959 174.3
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