CID 940606

620545-96-2

Structural Information

Molecular Formula
C15H9NO5
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)[N+](=O)[O-]
InChI
InChI=1S/C15H9NO5/c17-11-5-6-12-13(8-11)21-14(15(12)18)7-9-1-3-10(4-2-9)16(19)20/h1-8,17H/b14-7-
InChIKey
SJNIVFZEKRLLEP-AUWJEWJLSA-N
Compound name
(2Z)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

283.04807 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05535 160.2
[M+Na]+ 306.03729 168.2
[M-H]- 282.04079 168.0
[M+NH4]+ 301.08189 175.9
[M+K]+ 322.01123 160.8
[M+H-H2O]+ 266.04533 158.3
[M+HCOO]- 328.04627 182.8
[M+CH3COO]- 342.06192 190.4
[M+Na-2H]- 304.02274 166.6
[M]+ 283.04752 159.6
[M]- 283.04862 159.6
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

No patent data available for this compound.