CID 54915250

4-(3-nitrophenoxy)benzaldehyde

Structural Information

Molecular Formula
C13H9NO4
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)C=O)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO4/c15-9-10-4-6-12(7-5-10)18-13-3-1-2-11(8-13)14(16)17/h1-9H
InChIKey
WNUVHWSDQVUOSY-UHFFFAOYSA-N
Compound name
4-(3-nitrophenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05316 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06044 150.9
[M+Na]+ 266.04238 158.2
[M-H]- 242.04588 158.0
[M+NH4]+ 261.08698 167.1
[M+K]+ 282.01632 151.5
[M+H-H2O]+ 226.05042 147.8
[M+HCOO]- 288.05136 177.2
[M+CH3COO]- 302.06701 185.9
[M+Na-2H]- 264.02783 158.9
[M]+ 243.05261 151.3
[M]- 243.05371 151.3
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

No patent data available for this compound.