CID 3016048

2-(4-nitrophenoxy)phenol

Structural Information

Molecular Formula
C12H9NO4
SMILES
C1=CC=C(C(=C1)O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9NO4/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)13(15)16/h1-8,14H
InChIKey
DWENVBLWYBNNSF-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

231.05316 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.060436 146.7
[M+Na]+ 254.042378 153.8
[M-H]- 230.045884 152.6
[M+NH4]+ 249.086983 162.9
[M+K]+ 270.016318 147.0
[M+H-H2O]+ 214.050420 144.1
[M+HCOO]- 276.051361 171.7
[M+CH3COO]- 290.067011 181.1
[M+Na-2H]- 252.027826 155.0
[M]+ 231.05261142 145.7
[M]- 231.05370858 145.7
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