CID 10778748

Chembl5287655

Structural Information

Molecular Formula
C15H11ClO3
SMILES
C1=CC=C2C(=C1)C(=O)C(O2)(CC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C15H11ClO3/c16-11-7-5-10(6-8-11)9-15(18)14(17)12-3-1-2-4-13(12)19-15/h1-8,18H,9H2
InChIKey
SGHMQSOFJHQKCW-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-2-hydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

274.03967 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04695 158.3
[M+Na]+ 297.02889 169.3
[M-H]- 273.03239 166.1
[M+NH4]+ 292.07349 178.5
[M+K]+ 313.00283 164.4
[M+H-H2O]+ 257.03693 153.2
[M+HCOO]- 319.03787 175.4
[M+CH3COO]- 333.05352 171.7
[M+Na-2H]- 295.01434 164.1
[M]+ 274.03912 162.0
[M]- 274.04022 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe