CID 721406

16299-27-7

Structural Information

Molecular Formula
C17H12O4
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C17H12O4/c1-11(18)20-13-7-8-14-15(12-5-3-2-4-6-12)10-17(19)21-16(14)9-13/h2-10H,1H3
InChIKey
HLTWQCBRAPCNSP-UHFFFAOYSA-N
Compound name
(2-oxo-4-phenylchromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.07355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.080826 160.2
[M+Na]+ 303.062768 169.8
[M-H]- 279.066274 169.3
[M+NH4]+ 298.107373 175.8
[M+K]+ 319.036708 167.5
[M+H-H2O]+ 263.070810 152.1
[M+HCOO]- 325.071751 182.6
[M+CH3COO]- 339.087401 199.4
[M+Na-2H]- 301.048216 167.2
[M]+ 280.07300142 164.4
[M]- 280.07409858 164.4
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

No patent data available for this compound.