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]+ 260.09175 157.1
[M+Na]+ 282.07369 162.7
[M-H]- 258.07719 163.6
[M+NH4]+ 277.11829 172.4
[M+K]+ 298.04763 156.3
[M+H-H2O]+ 242.08173 153.5
[M+HCOO]- 304.08267 182.8
[M+CH3COO]- 318.09832 188.9
[M+Na-2H]- 280.05914 165.2
[M]+ 259.08392 158.1
[M]- 259.08502 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