CID 6447049

2-((3-nitrophenyl)methylene)-3(2h)-benzofuranone

Structural Information

Molecular Formula
C15H9NO4
SMILES
C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/O2
InChI
InChI=1S/C15H9NO4/c17-15-12-6-1-2-7-13(12)20-14(15)9-10-4-3-5-11(8-10)16(18)19/h1-9H/b14-9+
InChIKey
MCGHDBIFVNBNPB-NTEUORMPSA-N
Compound name
(2E)-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.05316 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06044 156.3
[M+Na]+ 290.04238 171.1
[M+NH4]+ 285.08698 164.7
[M+K]+ 306.01632 168.4
[M-H]- 266.04588 162.8
[M+Na-2H]- 288.02783 162.9
[M]+ 267.05261 160.1
[M]- 267.05371 160.1
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.