CID 894817

1-ethoxy-4-[(4-nitrophenyl)methoxy]benzene

Structural Information

Molecular Formula
C15H15NO4
SMILES
CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H15NO4/c1-2-19-14-7-9-15(10-8-14)20-11-12-3-5-13(6-4-12)16(17)18/h3-10H,2,11H2,1H3
InChIKey
YRIYZGDKWZVLSA-UHFFFAOYSA-N
Compound name
1-[(4-ethoxyphenoxy)methyl]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1001 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 161.7
[M+Na]+ 296.08932 167.8
[M-H]- 272.09282 168.4
[M+NH4]+ 291.13392 176.7
[M+K]+ 312.06326 161.2
[M+H-H2O]+ 256.09736 158.0
[M+HCOO]- 318.09830 187.1
[M+CH3COO]- 332.11395 193.0
[M+Na-2H]- 294.07477 168.6
[M]+ 273.09955 163.4
[M]- 273.10065 163.4
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.