CID 1403608

4h-1-benzopyran-4-one, 7-(acetyloxy)-3-(4-(acetyloxy)phenoxy)-

Structural Information

Molecular Formula
C19H14O7
SMILES
CC(=O)OC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C
InChI
InChI=1S/C19H14O7/c1-11(20)24-13-3-5-14(6-4-13)26-18-10-23-17-9-15(25-12(2)21)7-8-16(17)19(18)22/h3-10H,1-2H3
InChIKey
PKEBNHHKZLCYKJ-UHFFFAOYSA-N
Compound name
[4-(7-acetyloxy-4-oxochromen-3-yl)oxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.07394 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.081216 176.6
[M+Na]+ 377.063158 185.5
[M-H]- 353.066664 185.7
[M+NH4]+ 372.107763 188.8
[M+K]+ 393.037098 185.1
[M+H-H2O]+ 337.071200 167.7
[M+HCOO]- 399.072141 197.8
[M+CH3COO]- 413.087791 212.9
[M+Na-2H]- 375.048606 181.1
[M]+ 354.07339142 184.8
[M]- 354.07448858 184.8
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