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 157.7
[M+Na]+ 290.04238 165.5
[M-H]- 266.04588 166.5
[M+NH4]+ 285.08698 174.5
[M+K]+ 306.01632 158.3
[M+H-H2O]+ 250.05042 155.5
[M+HCOO]- 312.05136 181.6
[M+CH3COO]- 326.06701 189.6
[M+Na-2H]- 288.02783 164.7
[M]+ 267.05261 157.1
[M]- 267.05371 157.1
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.