CID 746395

137988-07-9

Structural Information

Molecular Formula
C17H12O5
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3
InChI
InChI=1S/C17H12O5/c1-11(18)21-13-7-8-14-15(9-13)20-10-16(17(14)19)22-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
BUUNXKBAQARCBI-UHFFFAOYSA-N
Compound name
(4-oxo-3-phenoxychromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

296.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 163.2
[M+Na]+ 319.05770 172.6
[M-H]- 295.06120 172.2
[M+NH4]+ 314.10230 178.0
[M+K]+ 335.03164 171.0
[M+H-H2O]+ 279.06574 154.8
[M+HCOO]- 341.06668 185.7
[M+CH3COO]- 355.08233 201.6
[M+Na-2H]- 317.04315 170.3
[M]+ 296.06793 168.8
[M]- 296.06903 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe