CID 979583

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

Structural Information

Molecular Formula
C19H15ClO5
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)OC
InChI
InChI=1S/C19H15ClO5/c1-11-18(19(22)23-2)15-9-14(7-8-17(15)25-11)24-10-16(21)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3
InChIKey
KEEDEPCWPDKQOJ-UHFFFAOYSA-N
Compound name
methyl 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

358.0608 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06808 180.2
[M+Na]+ 381.05002 191.0
[M-H]- 357.05352 189.7
[M+NH4]+ 376.09462 195.6
[M+K]+ 397.02396 187.6
[M+H-H2O]+ 341.05806 173.8
[M+HCOO]- 403.05900 198.7
[M+CH3COO]- 417.07465 212.5
[M+Na-2H]- 379.03547 182.2
[M]+ 358.06025 191.0
[M]- 358.06135 191.0
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.