CID 2303561

1(2h)-naphthalenone, 3,4-dihydro-2-((2-nitrophenyl)methylene)-, (e)-

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]+ 280.096816 162.2
[M+Na]+ 302.078758 168.2
[M-H]- 278.082264 169.4
[M+NH4]+ 297.123363 177.8
[M+K]+ 318.052698 159.2
[M+H-H2O]+ 262.086800 158.6
[M+HCOO]- 324.087741 183.9
[M+CH3COO]- 338.103391 194.0
[M+Na-2H]- 300.064206 168.6
[M]+ 279.08899142 158.1
[M]- 279.09008858 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.