CID 17459

2,4-pentadienal, 5-(4-nitrophenyl)-

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC(=CC=C1C=CC=CC=O)[N+](=O)[O-]
InChI
InChI=1S/C11H9NO3/c13-9-3-1-2-4-10-5-7-11(8-6-10)12(14)15/h1-9H
InChIKey
BKLWQDSDJBFRDF-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)penta-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

94
Patents

203.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 143.1
[M+Na]+ 226.04746 156.3
[M+NH4]+ 221.09206 150.4
[M+K]+ 242.02140 151.6
[M-H]- 202.05096 145.6
[M+Na-2H]- 224.03291 149.1
[M]+ 203.05769 145.4
[M]- 203.05879 145.4
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

patents stripe