CID 682196

6-oxo-6h-benzo[c]chromen-3-yl acetate

Structural Information

Molecular Formula
C15H10O4
SMILES
CC(=O)OC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C15H10O4/c1-9(16)18-10-6-7-12-11-4-2-3-5-13(11)15(17)19-14(12)8-10/h2-8H,1H3
InChIKey
RAHGAWYHOZHDAV-UHFFFAOYSA-N
Compound name
(6-oxobenzo[c]chromen-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

254.0579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06518 150.5
[M+Na]+ 277.04712 162.1
[M-H]- 253.05062 157.9
[M+NH4]+ 272.09172 168.7
[M+K]+ 293.02106 159.9
[M+H-H2O]+ 237.05516 143.5
[M+HCOO]- 299.05610 173.4
[M+CH3COO]- 313.07175 195.0
[M+Na-2H]- 275.03257 160.4
[M]+ 254.05735 156.9
[M]- 254.05845 156.9
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

patents stripe