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 146.7
[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

literature stripe

Patent stripe

patents stripe