CID 15541112

4-hydroxy-2'-nitrobiphenyl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

215.05824 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 143.5
[M+Na]+ 238.04746 150.8
[M-H]- 214.05096 149.4
[M+NH4]+ 233.09206 160.4
[M+K]+ 254.02140 143.4
[M+H-H2O]+ 198.05550 141.2
[M+HCOO]- 260.05644 168.3
[M+CH3COO]- 274.07209 179.0
[M+Na-2H]- 236.03291 151.6
[M]+ 215.05769 141.1
[M]- 215.05879 141.1
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