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

literature stripe

Patent stripe

patents stripe