CID 2303561

2-(2-nitrobenzylidene)-3,4-dihydronaphthalen-1(2h)-one

Structural Information

Molecular Formula
C17H13NO3
SMILES
C1C/C(=C\C2=CC=CC=C2[N+](=O)[O-])/C(=O)C3=CC=CC=C31
InChI
InChI=1S/C17H13NO3/c19-17-14(10-9-12-5-1-3-7-15(12)17)11-13-6-2-4-8-16(13)18(20)21/h1-8,11H,9-10H2/b14-11+
InChIKey
SWEJFWNQBMCNKA-SDNWHVSQSA-N
Compound name
(2E)-2-[(2-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 161.4
[M+Na]+ 302.07876 177.1
[M+NH4]+ 297.12336 170.4
[M+K]+ 318.05270 170.9
[M-H]- 278.08226 167.9
[M+Na-2H]- 300.06421 169.6
[M]+ 279.08899 165.4
[M]- 279.09009 165.4
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.