CID 21600238

20690-03-3

Structural Information

Molecular Formula
C11H8O4
SMILES
CC(=O)OC1=CC2=C(C=C1)OC(=O)C=C2
InChI
InChI=1S/C11H8O4/c1-7(12)14-9-3-4-10-8(6-9)2-5-11(13)15-10/h2-6H,1H3
InChIKey
YJFWQQFBOFHFLX-UHFFFAOYSA-N
Compound name
(2-oxochromen-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

204.04225 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe