CID 928228

7-acetoxycoumarin

Structural Information

Molecular Formula
C11H8O4
SMILES
CC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C11H8O4/c1-7(12)14-9-4-2-8-3-5-11(13)15-10(8)6-9/h2-6H,1H3
InChIKey
MGZOXZPZHVOXQB-UHFFFAOYSA-N
Compound name
(2-oxochromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

906
Patents

204.04225 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 137.1
[M+Na]+ 227.03147 147.3
[M-H]- 203.03497 143.2
[M+NH4]+ 222.07607 156.2
[M+K]+ 243.00541 146.7
[M+H-H2O]+ 187.03951 131.1
[M+HCOO]- 249.04045 160.3
[M+CH3COO]- 263.05610 184.0
[M+Na-2H]- 225.01692 146.0
[M]+ 204.04170 141.7
[M]- 204.04280 141.7
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.