CID 725713

2,4-dichlorophenyl 1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C15H8Cl2O3
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H8Cl2O3/c16-10-5-6-13(11(17)8-10)20-15(18)14-7-9-3-1-2-4-12(9)19-14/h1-8H
InChIKey
YNRYUTQJXXLDDX-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.98505 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.992326 164.0
[M+Na]+ 328.974268 176.5
[M-H]- 304.977774 172.8
[M+NH4]+ 324.018873 182.1
[M+K]+ 344.948208 171.4
[M+H-H2O]+ 288.982310 158.7
[M+HCOO]- 350.983251 179.1
[M+CH3COO]- 364.998901 177.7
[M+Na-2H]- 326.959716 168.8
[M]+ 305.98450142 172.7
[M]- 305.98559858 172.7
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.