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]+ 255.065176 150.5
[M+Na]+ 277.047118 162.1
[M-H]- 253.050624 157.9
[M+NH4]+ 272.091723 168.7
[M+K]+ 293.021058 159.9
[M+H-H2O]+ 237.055160 143.5
[M+HCOO]- 299.056101 173.4
[M+CH3COO]- 313.071751 195.0
[M+Na-2H]- 275.032566 160.4
[M]+ 254.05735142 156.9
[M]- 254.05844858 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