CID 5387159

38270-16-5

Structural Information

Molecular Formula
C15H10N2O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O5/c18-15(12-5-7-13(8-6-12)16(19)20)9-4-11-2-1-3-14(10-11)17(21)22/h1-10H/b9-4+
InChIKey
LCASUCZQFAYAPF-RUDMXATFSA-N
Compound name
(E)-3-(3-nitrophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

298.05896 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06624 167.9
[M+Na]+ 321.04818 182.2
[M+NH4]+ 316.09278 174.4
[M+K]+ 337.02212 180.6
[M-H]- 297.05168 173.6
[M+Na-2H]- 319.03363 174.9
[M]+ 298.05841 171.3
[M]- 298.05951 171.3
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

patents stripe