CID 725707

4-chlorophenyl 1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C15H9ClO3
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H9ClO3/c16-11-5-7-12(8-6-11)18-15(17)14-9-10-3-1-2-4-13(10)19-14/h1-9H
InChIKey
QJGCBESLWOIMPP-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.02402 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03130 157.2
[M+Na]+ 295.01324 168.5
[M-H]- 271.01674 166.4
[M+NH4]+ 290.05784 175.9
[M+K]+ 310.98718 164.5
[M+H-H2O]+ 255.02128 151.2
[M+HCOO]- 317.02222 177.5
[M+CH3COO]- 331.03787 171.4
[M+Na-2H]- 292.99869 163.6
[M]+ 272.02347 164.2
[M]- 272.02457 164.2
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

patents stripe