CID 854509

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

Structural Information

Molecular Formula
C19H15ClO4
SMILES
CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClO4/c1-2-12-9-19(22)24-18-10-15(7-8-16(12)18)23-11-17(21)13-3-5-14(20)6-4-13/h3-10H,2,11H2,1H3
InChIKey
XUQLPPRJAZLDAF-UHFFFAOYSA-N
Compound name
7-[2-(4-chlorophenyl)-2-oxoethoxy]-4-ethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0659 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07318 176.0
[M+Na]+ 365.05512 186.3
[M-H]- 341.05862 184.8
[M+NH4]+ 360.09972 190.1
[M+K]+ 381.02906 182.0
[M+H-H2O]+ 325.06316 168.3
[M+HCOO]- 387.06410 193.1
[M+CH3COO]- 401.07975 210.8
[M+Na-2H]- 363.04057 180.7
[M]+ 342.06535 183.8
[M]- 342.06645 183.8
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.