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

107
Patents

215.05824 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe