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 162.2
[M+Na]+ 302.07876 168.2
[M-H]- 278.08226 169.4
[M+NH4]+ 297.12336 177.8
[M+K]+ 318.05270 159.2
[M+H-H2O]+ 262.08680 158.6
[M+HCOO]- 324.08774 183.9
[M+CH3COO]- 338.10339 194.0
[M+Na-2H]- 300.06421 168.6
[M]+ 279.08899 158.1
[M]- 279.09009 158.1
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.