CID 824911

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

Structural Information

Molecular Formula
C14H13NO4
SMILES
COC1=CC=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13NO4/c1-18-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)17/h2-9H,10H2,1H3
InChIKey
XGVAEAVGTOZSNS-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenoxy)methyl]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

259.08447 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 156.8
[M+Na]+ 282.07369 163.4
[M-H]- 258.07719 163.7
[M+NH4]+ 277.11829 172.5
[M+K]+ 298.04763 157.0
[M+H-H2O]+ 242.08173 153.4
[M+HCOO]- 304.08267 182.6
[M+CH3COO]- 318.09832 189.9
[M+Na-2H]- 280.05914 164.3
[M]+ 259.08392 158.2
[M]- 259.08502 158.2
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