CID 12867154

4-nitro-2-phenoxyphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

231.05316 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06044 146.8
[M+Na]+ 254.04238 162.0
[M+NH4]+ 249.08698 155.1
[M+K]+ 270.01632 157.9
[M-H]- 230.04588 152.1
[M+Na-2H]- 252.02783 155.9
[M]+ 231.05261 150.4
[M]- 231.05371 150.4
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

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