CID 4209407

7-[2-(4-chlorophenyl)-2-oxoethoxy]-4-propyl-2h-chromen-2-one

Structural Information

Molecular Formula
C20H17ClO4
SMILES
CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H17ClO4/c1-2-3-14-10-20(23)25-19-11-16(8-9-17(14)19)24-12-18(22)13-4-6-15(21)7-5-13/h4-11H,2-3,12H2,1H3
InChIKey
APALGHYRUVCWGE-UHFFFAOYSA-N
Compound name
7-[2-(4-chlorophenyl)-2-oxoethoxy]-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.08154 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08882 180.8
[M+Na]+ 379.07076 190.7
[M-H]- 355.07426 189.4
[M+NH4]+ 374.11536 194.3
[M+K]+ 395.04470 186.1
[M+H-H2O]+ 339.07880 172.9
[M+HCOO]- 401.07974 197.5
[M+CH3COO]- 415.09539 213.7
[M+Na-2H]- 377.05621 184.9
[M]+ 356.08099 188.9
[M]- 356.08209 188.9
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

No patent data available for this compound.