CID 734286

139276-14-5

Structural Information

Molecular Formula
C15H9ClO3
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)Cl
InChI
InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,17H/b14-7-
InChIKey
BDTDMWIIDULIHT-AUWJEWJLSA-N
Compound name
(2Z)-2-[(4-chlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

272.02402 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03130 158.1
[M+Na]+ 295.01324 169.4
[M-H]- 271.01674 165.9
[M+NH4]+ 290.05784 176.6
[M+K]+ 310.98718 163.8
[M+H-H2O]+ 255.02128 152.9
[M+HCOO]- 317.02222 175.3
[M+CH3COO]- 331.03787 171.5
[M+Na-2H]- 292.99869 162.1
[M]+ 272.02347 161.1
[M]- 272.02457 161.1
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.