CID 762596

3-(4-nitro-phenoxy)-phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

231.05316 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

patents stripe