CID 5068960

1-(4-nitrophenoxy)-2-phenoxyethane

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13NO4/c16-15(17)12-6-8-14(9-7-12)19-11-10-18-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKey
HRBVDXVFAYYMJV-UHFFFAOYSA-N
Compound name
1-nitro-4-(2-phenoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

259.08447 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.091746 157.1
[M+Na]+ 282.073688 162.7
[M-H]- 258.077194 163.6
[M+NH4]+ 277.118293 172.4
[M+K]+ 298.047628 156.3
[M+H-H2O]+ 242.081730 153.5
[M+HCOO]- 304.082671 182.8
[M+CH3COO]- 318.098321 188.9
[M+Na-2H]- 280.059136 165.2
[M]+ 259.08392142 158.1
[M]- 259.08501858 158.1
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