CID 138078

4-hydroxy-4'-nitrobiphenyl

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C12H9NO3/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,14H
InChIKey
ZNDJDQOECGBUNK-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
Patents

215.05824 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 143.6
[M+Na]+ 238.04746 159.3
[M+NH4]+ 233.09206 152.5
[M+K]+ 254.02140 154.7
[M-H]- 214.05096 149.4
[M+Na-2H]- 236.03291 153.2
[M]+ 215.05769 147.5
[M]- 215.05879 147.5
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