CID 927784

Brn 5453991

Structural Information

Molecular Formula
C17H11NO7
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H11NO7/c1-10(19)24-13-6-7-14-15(8-13)23-9-16(17(14)20)25-12-4-2-11(3-5-12)18(21)22/h2-9H,1H3
InChIKey
BOUPYHPGHHGJFP-UHFFFAOYSA-N
Compound name
[3-(4-nitrophenoxy)-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.05356 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06084 171.3
[M+Na]+ 364.04278 187.1
[M+NH4]+ 359.08738 177.8
[M+K]+ 380.01672 184.0
[M-H]- 340.04628 177.3
[M+Na-2H]- 362.02823 178.3
[M]+ 341.05301 175.2
[M]- 341.05411 175.2
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

No patent data available for this compound.