CID 1778908

Brn 5454028

Structural Information

Molecular Formula
C19H14O7
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C19H14O7/c1-11(20)25-14-7-8-15-16(9-14)24-10-17(18(15)21)26-13-5-3-12(4-6-13)19(22)23-2/h3-10H,1-2H3
InChIKey
WIKLVWCKOMIMAW-UHFFFAOYSA-N
Compound name
methyl 4-(7-acetyloxy-4-oxochromen-3-yl)oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.07394 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08122 176.2
[M+Na]+ 377.06316 191.0
[M+NH4]+ 372.10776 182.1
[M+K]+ 393.03710 185.8
[M-H]- 353.06666 180.4
[M+Na-2H]- 375.04861 182.7
[M]+ 354.07339 179.5
[M]- 354.07449 179.5
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