CID 979581

Ethyl 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C20H17ClO5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C20H17ClO5/c1-3-24-20(23)19-12(2)26-18-9-8-15(10-16(18)19)25-11-17(22)13-4-6-14(21)7-5-13/h4-10H,3,11H2,1-2H3
InChIKey
CSURGAOZDQSPNY-UHFFFAOYSA-N
Compound name
ethyl 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07645 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08373 185.0
[M+Na]+ 395.06567 195.4
[M-H]- 371.06917 194.3
[M+NH4]+ 390.11027 199.9
[M+K]+ 411.03961 191.8
[M+H-H2O]+ 355.07371 178.4
[M+HCOO]- 417.07465 203.2
[M+CH3COO]- 431.09030 215.4
[M+Na-2H]- 393.05112 186.5
[M]+ 372.07590 196.1
[M]- 372.07700 196.1
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.