CID 906251

Brn 5446814

Structural Information

Molecular Formula
C18H14O5
SMILES
CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C
InChI
InChI=1S/C18H14O5/c1-11-4-3-5-13(8-11)23-17-10-21-16-9-14(22-12(2)19)6-7-15(16)18(17)20/h3-10H,1-2H3
InChIKey
UCMILQIHQGWDNJ-UHFFFAOYSA-N
Compound name
[3-(3-methylphenoxy)-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

310.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 167.4
[M+Na]+ 333.07336 183.8
[M+NH4]+ 328.11796 175.1
[M+K]+ 349.04730 176.9
[M-H]- 309.07686 173.1
[M+Na-2H]- 331.05881 175.4
[M]+ 310.08359 171.5
[M]- 310.08469 171.5
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