CID 4272131

300557-29-3

Structural Information

Molecular Formula
C19H15ClO5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C19H15ClO5/c1-3-23-19(22)17-11(2)24-16-9-8-14(10-15(16)17)25-18(21)12-4-6-13(20)7-5-12/h4-10H,3H2,1-2H3
InChIKey
YWEDPYGUQRFFLS-UHFFFAOYSA-N
Compound name
ethyl 5-(4-chlorobenzoyl)oxy-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

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06808 180.4
[M+Na]+ 381.05002 191.3
[M-H]- 357.05352 189.9
[M+NH4]+ 376.09462 195.9
[M+K]+ 397.02396 188.0
[M+H-H2O]+ 341.05806 174.0
[M+HCOO]- 403.05900 198.9
[M+CH3COO]- 417.07465 211.9
[M+Na-2H]- 379.03547 182.4
[M]+ 358.06025 191.1
[M]- 358.06135 191.1
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.