CID 13447

4-hydroxy-3-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/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H
InChIKey
JDDNJJBXFOLPKX-UHFFFAOYSA-N
Compound name
2-nitro-4-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

122
Patents

215.05824 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.065516 143.5
[M+Na]+ 238.047458 150.8
[M-H]- 214.050964 149.4
[M+NH4]+ 233.092063 160.4
[M+K]+ 254.021398 143.4
[M+H-H2O]+ 198.055500 141.2
[M+HCOO]- 260.056441 168.3
[M+CH3COO]- 274.072091 179.0
[M+Na-2H]- 236.032906 151.6
[M]+ 215.05769142 141.1
[M]- 215.05878858 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

literature stripe

Patent stripe

patents stripe