CID 1653771

Butyl [(6-chloro-2-oxo-4-phenyl-2h-chromen-7-yl)oxy]acetate

Structural Information

Molecular Formula
C21H19ClO5
SMILES
CCCCOC(=O)COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl
InChI
InChI=1S/C21H19ClO5/c1-2-3-9-25-21(24)13-26-19-12-18-16(10-17(19)22)15(11-20(23)27-18)14-7-5-4-6-8-14/h4-8,10-12H,2-3,9,13H2,1H3
InChIKey
XGCMQQZGPOAAHM-UHFFFAOYSA-N
Compound name
butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.0921 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09938 187.2
[M+Na]+ 409.08132 203.8
[M+NH4]+ 404.12592 194.6
[M+K]+ 425.05526 195.2
[M-H]- 385.08482 192.8
[M+Na-2H]- 407.06677 194.4
[M]+ 386.09155 191.6
[M]- 386.09265 191.6
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.