CID 905969

Brn 5450326

Structural Information

Molecular Formula
C18H14O6
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3OC
InChI
InChI=1S/C18H14O6/c1-11(19)23-12-7-8-13-16(9-12)22-10-17(18(13)20)24-15-6-4-3-5-14(15)21-2/h3-10H,1-2H3
InChIKey
BVXYZSRPGUKHHV-UHFFFAOYSA-N
Compound name
[3-(2-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 170.6
[M+Na]+ 349.06826 180.2
[M-H]- 325.07176 179.8
[M+NH4]+ 344.11286 184.3
[M+K]+ 365.04220 179.3
[M+H-H2O]+ 309.07630 161.9
[M+HCOO]- 371.07724 192.9
[M+CH3COO]- 385.09289 208.0
[M+Na-2H]- 347.05371 176.6
[M]+ 326.07849 178.4
[M]- 326.07959 178.4
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