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

0
Patents

280.07355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08083 160.2
[M+Na]+ 303.06277 169.8
[M-H]- 279.06627 169.3
[M+NH4]+ 298.10737 175.8
[M+K]+ 319.03671 167.5
[M+H-H2O]+ 263.07081 152.1
[M+HCOO]- 325.07175 182.6
[M+CH3COO]- 339.08740 199.4
[M+Na-2H]- 301.04822 167.2
[M]+ 280.07300 164.4
[M]- 280.07410 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.