CID 122965

1-methoxy-2-(4-nitrophenoxy)benzene

Structural Information

Molecular Formula
C13H11NO4
SMILES
COC1=CC=CC=C1OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11NO4/c1-17-12-4-2-3-5-13(12)18-11-8-6-10(7-9-11)14(15)16/h2-9H,1H3
InChIKey
OOSBNKMKKNIQAN-UHFFFAOYSA-N
Compound name
1-methoxy-2-(4-nitrophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

245.0688 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 151.9
[M+Na]+ 268.058018 159.0
[M-H]- 244.061524 159.0
[M+NH4]+ 263.102623 168.1
[M+K]+ 284.031958 152.8
[M+H-H2O]+ 228.066060 148.8
[M+HCOO]- 290.067001 178.0
[M+CH3COO]- 304.082651 186.9
[M+Na-2H]- 266.043466 160.0
[M]+ 245.06825142 153.0
[M]- 245.06934858 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe