CID 384025

Nsc673135

Structural Information

Molecular Formula
C19H14O6
SMILES
CC(=O)OC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C)OC2=O
InChI
InChI=1S/C19H14O6/c1-11(20)23-15-6-3-13(4-7-15)17-9-14-5-8-16(24-12(2)21)10-18(14)25-19(17)22/h3-10H,1-2H3
InChIKey
LFPNSUWIISXTOM-UHFFFAOYSA-N
Compound name
[4-(7-acetyloxy-2-oxochromen-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

338.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 174.0
[M+Na]+ 361.06826 183.1
[M-H]- 337.07176 183.1
[M+NH4]+ 356.11286 187.0
[M+K]+ 377.04220 182.0
[M+H-H2O]+ 321.07630 165.4
[M+HCOO]- 383.07724 195.1
[M+CH3COO]- 397.09289 210.6
[M+Na-2H]- 359.05371 178.3
[M]+ 338.07849 180.7
[M]- 338.07959 180.7
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