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 168.1
[M+Na]+ 321.04818 172.6
[M-H]- 297.05168 174.4
[M+NH4]+ 316.09278 180.3
[M+K]+ 337.02212 161.1
[M+H-H2O]+ 281.05622 168.7
[M+HCOO]- 343.05716 192.6
[M+CH3COO]- 357.07281 191.2
[M+Na-2H]- 319.03363 174.7
[M]+ 298.05841 164.7
[M]- 298.05951 164.7
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