CID 384024

4-(2-oxo-2h-chromen-3-yl)phenyl acetate

Structural Information

Molecular Formula
C17H12O4
SMILES
CC(=O)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C17H12O4/c1-11(18)20-14-8-6-12(7-9-14)15-10-13-4-2-3-5-16(13)21-17(15)19/h2-10H,1H3
InChIKey
HLOFWCHOMFXXRP-UHFFFAOYSA-N
Compound name
[4-(2-oxochromen-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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

patents stripe