CID 625985

4-nitro-2,6-diphenylphenol

Structural Information

Molecular Formula
C18H13NO3
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2O)C3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H13NO3/c20-18-16(13-7-3-1-4-8-13)11-15(19(21)22)12-17(18)14-9-5-2-6-10-14/h1-12,20H
InChIKey
YCXQKJXTGDYKIO-UHFFFAOYSA-N
Compound name
4-nitro-2,6-diphenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

291.08954 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 165.8
[M+Na]+ 314.07876 172.2
[M-H]- 290.08226 174.5
[M+NH4]+ 309.12336 179.1
[M+K]+ 330.05270 163.0
[M+H-H2O]+ 274.08680 161.4
[M+HCOO]- 336.08774 189.6
[M+CH3COO]- 350.10339 194.5
[M+Na-2H]- 312.06421 172.4
[M]+ 291.08899 163.1
[M]- 291.09009 163.1
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

No patent data available for this compound.