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 164.0
[M+Na]+ 328.97427 176.5
[M-H]- 304.97777 172.8
[M+NH4]+ 324.01887 182.1
[M+K]+ 344.94821 171.4
[M+H-H2O]+ 288.98231 158.7
[M+HCOO]- 350.98325 179.1
[M+CH3COO]- 364.99890 177.7
[M+Na-2H]- 326.95972 168.8
[M]+ 305.98450 172.7
[M]- 305.98560 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.