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]+ 292.096816 165.8
[M+Na]+ 314.078758 172.2
[M-H]- 290.082264 174.5
[M+NH4]+ 309.123363 179.1
[M+K]+ 330.052698 163.0
[M+H-H2O]+ 274.086800 161.4
[M+HCOO]- 336.087741 189.6
[M+CH3COO]- 350.103391 194.5
[M+Na-2H]- 312.064206 172.4
[M]+ 291.08899142 163.1
[M]- 291.09008858 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

literature stripe

Patent stripe

patents stripe