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]+ 306.99233 161.9
[M+Na]+ 328.97427 179.6
[M+NH4]+ 324.01887 171.6
[M+K]+ 344.94821 172.6
[M-H]- 304.97777 167.8
[M+Na-2H]- 326.95972 170.7
[M]+ 305.98450 167.0
[M]- 305.98560 167.0
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.