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

16
Patents

231.05316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06044 146.7
[M+Na]+ 254.04238 153.8
[M-H]- 230.04588 152.6
[M+NH4]+ 249.08698 162.9
[M+K]+ 270.01632 147.0
[M+H-H2O]+ 214.05042 144.1
[M+HCOO]- 276.05136 171.7
[M+CH3COO]- 290.06701 181.1
[M+Na-2H]- 252.02783 155.0
[M]+ 231.05261 145.7
[M]- 231.05371 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