CID 5349240

63421-91-0

Structural Information

Molecular Formula
C17H11NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C17H11NO4/c19-16(9-7-15-8-10-17(22-15)18(20)21)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H/b9-7+
InChIKey
BZXVNPJFJCGCML-VQHVLOKHSA-N
Compound name
(E)-1-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06882 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.076096 166.2
[M+Na]+ 316.058038 173.8
[M-H]- 292.061544 175.0
[M+NH4]+ 311.102643 181.6
[M+K]+ 332.031978 166.3
[M+H-H2O]+ 276.066080 163.3
[M+HCOO]- 338.067021 191.1
[M+CH3COO]- 352.082671 194.7
[M+Na-2H]- 314.043486 173.3
[M]+ 293.06827142 167.9
[M]- 293.06936858 167.9
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.