CID 2763586

4'-nitrobiphenyl-4-carboxaldehyde

Structural Information

Molecular Formula
C13H9NO3
SMILES
C1=CC(=CC=C1C=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-9H
InChIKey
MGHIIGWDUVNPPV-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

227.05824 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06552 147.5
[M+Na]+ 250.04746 155.1
[M-H]- 226.05096 154.7
[M+NH4]+ 245.09206 164.5
[M+K]+ 266.02140 147.8
[M+H-H2O]+ 210.05550 144.8
[M+HCOO]- 272.05644 173.7
[M+CH3COO]- 286.07209 183.9
[M+Na-2H]- 248.03291 155.5
[M]+ 227.05769 146.6
[M]- 227.05879 146.6
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